# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-14T11:03:48+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 = 14 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
"1544171","7.659","0.0004","20.714","0.001","10.7415","0.0006","90","","92.162","0.003","90","","1702.91","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.5 H25 Cl O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0677","0.0444","","","0.0932","0.101","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544172","28.082","0.004","9.2623","0.0011","12.2258","0.0016","90","","99.923","0.007","90","","3132.4","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0483","0.0384","","","0.0984","0.1063","","","","","","1.021","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544173","5.917","0.0003","11.503","0.0006","12.0635","0.0006","90","","98.153","0.002","90","","812.78","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0376","0.0353","","","0.0917","0.0935","","","","","","1.034","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544174","6.4809","0.0007","9.8124","0.0013","21.726","0.002","90","","90","","90","","1381.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0749","0.0493","","","0.0855","0.0949","","","","","","1.006","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544175","8.424","0.005","9.093","0.007","12.323","0.007","71.63","0.02","89.35","0.02","74.44","0.03","860.2","1","293","2","293","2","","","","","","","Salvia miltiorrhiza Bge.","3","P -1","-P 1","2","DS-1","miltiolactone A","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Li, Ling-Zhi; Liang, Xiao; Sun, Xue; Qi, Xiao-Li; Wang, Jian; Zhao, Qing-Chun; Song, Shao-Jiang","Bioactive norditerpenoids and neolignans from the roots of salvia miltiorrhiza.","Organic & biomolecular chemistry","2016","14","42","10050","10057","10.1039/c6ob01784c","","","0.71073","MoKα","","0.0641","0.0458","","","0.1268","0.1355","","","","","","1.118","","","","has coordinates","188309","2020-10-21","18:00:00",""
"7154726","23.8959","0.0008","5.8737","0.0002","27.367","0.001","90","","111.579","0.0013","90","","3571.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 -","- C23 H21 F N2 -","- C184 H168 F8 N16 -","8","2","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","anti-Selective aminofluorination of alkenes with amidines mediated by hypervalent iodine(iii) reagents.","Organic & biomolecular chemistry","2016","14","24","5481","5485","10.1039/c5ob01854d","","","0.71073","MoKα","","0.0846","0.0547","","","0.1238","0.1447","","","","","","1.035","","","","has coordinates","183760","2020-10-21","18:00:00",""
"7154733","11.2256","0.0013","19.596","0.003","7.9601","0.0012","90","","90","","90","","1751","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H24 O Si -","- C20 H24 O Si -","- C80 H96 O4 Si4 -","4","1","","Rigsbee, E. M.; Zhou, C.; Rasik, C. M.; Spitz, A. Z.; Nichols, A. J.; Brown, M. K.","Lewis acid-promoted [2 + 2] cycloadditions of alkenes with aryl ketenes.","Organic & biomolecular chemistry","2016","14","24","5477","5480","10.1039/c5ob01837d","","","0.71073","MoKα","","0.0418","0.0354","","0.0944","0.0871","0.0944","","","","","","1.0075","","","","has coordinates","183767","2020-10-21","18:00:00",""
"7154740","18.6953","0.0004","18.6953","0.0004","9.2303","0.0002","90","","90","","120","","2793.9","0.1","123","2","123","2","","","","","","","","4","P -3","-P 3","147","","","","- C21 H27 N O -","- C21 H27 N O -","- C126 H162 N6 O6 -","6","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.0562","0.0477","","","0.1266","0.1352","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154741","23.0565","0.0017","27.3947","0.0017","11.6346","0.0009","90","","90","","90","","7348.7","0.9","123","2","123","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C21 H27 N O -","- C21 H27 N O -","- C336 H432 N16 O16 -","16","2","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0776","0.0511","","","0.0847","0.0942","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154742","17.524","0.002","6.4455","0.0006","19.9254","0.0016","90","","99.422","0.009","90","","2220.2","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N O3 -","- C23 H35 N O3 -","- C92 H140 N4 O12 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.1198","0.0759","","","0.1942","0.234","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154743","18.861","0.001","7.193","0.0003","13.7442","0.0006","90","","90","","90","","1864.64","0.15","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 Cl N O -","- C21 H28 Cl N O -","- C84 H112 Cl4 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0332","0.03","","","0.0691","0.0711","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154744","16.8197","0.0014","6.2849","0.0005","18.193","0.0014","90","","93.24","0.007","90","","1920.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F3 N O1.5 -","- C21 H25 F3 N O1.5 -","- C84 H100 F12 N4 O6 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0727","0.0547","","","0.1108","0.1176","","","","","","1.144","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154745","17.8003","0.0004","6.1791","0.0002","17.0864","0.0003","90","","101.206","0.002","90","","1843.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C84 H96 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0506","0.0404","","","0.0932","0.0999","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154746","9.0335","0.0003","9.8976","0.0003","11.7319","0.0003","95.431","0.003","101.143","0.003","115.147","0.003","912.99","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0439","0.0378","","","0.0956","0.1005","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154747","8.3916","0.0006","10.5116","0.0005","9.3538","0.0006","90","","101.449","0.006","90","","808.67","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F3 N O -","- C7 H12 F3 N O -","- C28 H48 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0678","0.0436","","","0.0946","0.1093","","","","","","1.051","","","","has coordinates","176190","2020-10-21","18:00:00",""
"7154754","8.8259","0.0013","14.64","0.002","19.755","0.003","90","","90","","90","","2552.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O4 S -","- C27 H24 F3 N O4 S -","- C108 H96 F12 N4 O16 S4 -","4","1","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.0472","0.0371","","","0.0961","0.102","","","","","","1.027","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154755","7.7634","0.0011","12.5816","0.0016","17.744","0.002","74.284","0.003","88.867","0.003","82.156","0.003","1652.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.076","0.0584","","","0.1561","0.1732","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154757","12.82","0.0005","14.667","0.0007","12.6709","0.0007","90","","101.774","0.005","90","","2332.4","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3+2] + DA product","compound 18","","- C26 H33 Cl O4 -","- C26 H33 Cl O4 -","- C104 H132 Cl4 O16 -","4","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.7107","MoKα","","0.0833","0.0488","","","0.0944","0.1114","","","","","","1.03","","","","has coordinates","176199","2020-10-21","18:00:00",""
"7154758","9.418","0.002","10.301","0.003","10.919","0.003","75.398","0.015","77.071","0.016","72.538","0.015","965.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[3+2] product","compound 8","","- C21 H27 Cl O2 -","- C21 H27 Cl O2 -","- C42 H54 Cl2 O4 -","2","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.71073","MoKα","","0.0762","0.0654","","","0.1469","0.153","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154759","10.9164","0.0003","16.2651","0.0004","19.0039","0.0005","90","","93.2134","0.0009","90","","3368.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 P -","- C36 H44 F6 N3 P -","- C144 H176 F24 N12 P4 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1204","0.1252","","","","","","1.059","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154760","11.1337","0.0005","24.2066","0.001","15.0351","0.0006","90","","107.57","0.001","90","","3863.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F6 N3 O6 S2 -","- C38 H45 F6 N3 O6 S2 -","- C152 H180 F24 N12 O24 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.052","0.0372","","","0.0899","0.0989","","","","","","1.039","","","","has coordinates","176146","2020-10-21","18:00:00",""
"7154761","10.9261","0.0005","12.7024","0.0005","17.0382","0.0007","90","","96.0531","0.0013","90","","2351.51","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Br0.68 Cl0.32 N2 O4 S2 -","- C22 H29 Br0.682 Cl0.319 N2 O4 S2 -","- C88 H116 Br2.728 Cl1.276 N8 O16 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","1.54178","CuKα","","0.0505","0.0488","","","0.1115","0.1124","","","","","","1.098","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154762","19.6192","0.0013","19.6192","0.0013","22.6973","0.0015","90","","90","","120","","7566","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H22 Br6 N3 -","- C8 H19 Br3.5 N3 -","- C144 H342 Br63 N54 -","18","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0547","0.045","","","0.1347","0.1404","","","","","","1.095","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154763","5.9435","0.0004","12.4041","0.0008","16.5108","0.0011","90","","92.519","0.004","90","","1216.06","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","","Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa","Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.","Organic & biomolecular chemistry","2016","14","5","1569","1578","10.1039/c5ob01594d","","","0.71073","MoKα","","0.0702","0.0545","","","0.1114","0.1181","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154764","8.7898","0.0008","21.266","0.002","10.9725","0.0011","90","","106.651","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0563","0.0397","","","0.1192","0.1344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154765","15.3958","0.0019","9.1841","0.0011","16.013","0.002","90","","116.983","0.002","90","","2017.7","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0303","0.0268","","","0.0704","0.072","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154766","8.366","0.0006","11.2874","0.0008","12.1577","0.0009","86.279","0.002","71.427","0.001","82.812","0.002","1079.33","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C46 H44 Cl2 N2 O4 S2 -","2","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0532","0.0445","","","0.1293","0.1396","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154767","7.9496","0.0002","8.5205","0.0002","9.6732","0.0002","108.919","0.0009","98.719","0.001","103.047","0.001","585.57","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Yevglevskis, Maksims; Lee, Guat L.; Sun, Jenny; Zhou, Shiyi; Sun, Xiaolong; Kociok-Köhn, Gabriele; James, Tony D.; Woodman, Timothy J.; Lloyd, Matthew D.","A study on the AMACR catalysed elimination reaction and its application to inhibitor testing.","Organic & biomolecular chemistry","2015","14","2","612","622","10.1039/c5ob01541c","","","0.71073","MoKα","","0.064","0.0463","","","0.1216","0.1323","","","","","","1.063","","","","has coordinates","176140","2020-10-21","18:00:00",""
"7154768","21.832","0.002","5.1765","0.0005","18.5849","0.0019","90","","103.747","0.002","90","","2040.2","0.3","303.9","","303.9","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl N2 O -","- C25 H19 Cl N2 O -","- C100 H76 Cl4 N8 O4 -","4","1","","Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun","Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.","Organic & biomolecular chemistry","2015","14","2","623","630","10.1039/c5ob01656h","","","0.71073","MoKα","","0.1098","0.065","","","0.1376","0.1556","","","","","","1.064","","","","has coordinates,has disorder","176137","2020-10-21","18:00:00",""
"7154769","11.8867","0.0001","8.0556","0.0001","12.3853","0.0001","90","","99.064","0.001","90","","1171.14","0.02","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-Oxyma","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0355","0.0342","","","0.0955","0.0966","","","","","","1.065","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154770","5.902","0.0001","21.523","0.0003","11.2041","0.0002","90","","102.073","0.002","90","","1391.76","0.04","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-tButylOxyma","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0437","0.0392","","","0.0972","0.1018","","","","","","1.034","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154771","10.604","0.002","10.844","0.002","11.111","0.003","90","","100.939","0.005","90","","1254.4","0.5","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka","Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.","Organic & biomolecular chemistry","2015","14","2","694","700","10.1039/c5ob02032h","","","0.71073","MoKα","","0.0614","0.0533","","","0.1495","0.1622","","","","","","1.068","","","","has coordinates","176136","2020-10-21","18:00:00",""
"7154772","8.0622","0.0003","8.0832","0.0005","19.3119","0.0011","96.786","0.005","92.066","0.004","103.632","0.004","1211.84","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O3 S4 -","- C24 H24 O3 S4 -","- C48 H48 O6 S8 -","2","1","","Ramulu, B. Janaki; Koley, Suvajit; Singh, Maya Shankar","Metal-free Brønsted acid mediated synthesis of fully substituted thiophenes via chemo- and regioselective intramolecular cyclization of α,α'-bis(β-oxodithioesters) at room temperature.","Organic & biomolecular chemistry","2015","14","2","434","439","10.1039/c5ob02081f","","","0.71073","MoKα","","0.0797","0.0494","","","0.1407","0.1714","","","","","","0.874","","","","has coordinates","176139","2020-10-21","18:00:00",""
"7154773","5.206","0.003","14.978","0.009","16.033","0.009","90","","90","","90","","1250.2","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","1.54187","CuKα","","0.0825","0.0609","","","0.1401","0.1544","","","","","","1.082","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154774","5.008","0.002","8.002","0.004","17.346","0.008","90","","95.347","0.005","90","","692.1","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O7 -","- C11 H21 N O7 -","- C22 H42 N2 O14 -","2","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","0.71075","MoKα","","0.037","0.0332","","","0.0851","0.0877","","","","","","1.049","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154775","14.489","0.008","16.788","0.01","15.691","0.009","90","","97.627","0.009","90","","3783","4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C168 H192 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.1542","0.0674","","","0.1246","0.1585","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154776","14.6367","0.0004","17.6967","0.0004","15.064","0.0004","90","","94.45","0.002","90","","3890.13","0.17","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 F3 N6 O3 -","- C42 H45 F3 N6 O3 -","- C168 H180 F12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0788","0.0524","","","0.1087","0.1214","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154777","14.606","0.0004","18.7364","0.0005","14.7922","0.0004","90","","92.42","0.002","90","","4044.48","0.19","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 N6 O3 -","- C42 H45 Cl3 N6 O3 -","- C168 H180 Cl12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0717","0.049","","","0.0997","0.1088","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154778","14.5208","0.0002","19.0262","0.0003","14.9678","0.0002","90","","91.832","0.001","90","","4133.12","0.1","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 O3 -","- C42 H45 Br3 N6 O3 -","- C168 H180 Br12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0257","0.0255","","","0.0672","0.0674","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154779","11.231","0.0003","16.5478","0.0004","16.658","0.0004","60.773","0.002","70.814","0.002","73.664","0.002","2524.11","0.12","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H59 N6 O6.5 -","- C47 H59 N6 O6.5 -","- C94 H118 N12 O13 -","2","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0569","0.054","","","0.1516","0.1559","","","","","","1.058","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154780","18.74","0.003","18.74","0.003","22.056","0.003","90","","90","","120","","6708.1","1.8","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0465","0.0427","","","0.1151","0.1172","","","","","","1.096","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154781","18.64","0.003","18.64","","22.083","0.003","90","","90","","120","","6644.8","1.4","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0677","0.051","","","0.1206","0.1271","","","","","","1.058","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154782","14.177","0.002","21.094","0.003","32.557","0.004","90","","90","","90","","9736","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H102 Cl8 N6 O4 -","- C104 H102 Cl8 N6 O4 -","- C416 H408 Cl32 N24 O16 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54187","CuKα","","0.0614","0.0582","","","0.1704","0.1755","","","","","","1.046","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154783","15.145","0.0004","21.42","0.0004","25.216","0.0006","90","","90","","90","","8180.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100.5 H92.25 N6.75 O3 -","- C100.5 H92.25 N6.75 O3 -","- C402 H369 N27 O12 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.08","0.0542","","","0.1304","0.145","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154787","10.5994","0.0008","14.6173","0.0014","16.0206","0.0013","91.305","0.003","90.921","0.003","103.62","0.004","2411.1","0.4","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S18 -","- C42 H30 S18 -","- C84 H60 S36 -","2","1","","Parker, Christian R.; Lincke, Kasper; Christensen, Mikkel A.; Lušpai, Karol; Rapta, Peter; Sørensen, Thomas Just; Morsing, Thorbjørn J; Du, Lin; Kjaergaard, Henrik G.; Hammerich, Ole; Diederich, François; Nielsen, Mogens Brøndsted","On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes.","Organic & biomolecular chemistry","2015","14","2","425","429","10.1039/c5ob02087e","","","0.71073","MoKα","","0.1132","0.052","","","0.0798","0.0966","","","","","","1.0012","","","","has coordinates","176138","2020-10-21","18:00:00",""
"7154788","9.1961","0.0006","9.1334","0.0006","17.5805","0.0011","90","","97.135","0.002","90","","1465.18","0.16","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 F4 O2 -","- C14 H22 F4 O2 -","- C56 H88 F16 O8 -","4","2","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","","0.0495","","","","0.1415","","","","","","1.058","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154789","5.3073","0.0014","10.169","0.003","26.061","0.007","90","","90","","90","","1406.5","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 F2 O2 -","- C14 H24 F2 O2 -","- C56 H96 F8 O8 -","4","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","0.71075","MoKα","","","0.0351","","","","0.0843","","","","","","1.026","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154790","7.7556","0.0012","10.679","0.0015","9.8996","0.0016","90","","107.033","0.004","90","","783.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C30 H50 N2 O6 -","2","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","0.0485","0.0478","","","0.1168","0.1176","","","","","","0.891","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154791","11.707","0.005","6.566","0.005","12.828","0.005","90","0","102.872","0.005","90","0","961.3","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0277","0.0274","","","0.0691","0.0695","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154792","10.585","0.005","6.81","0.005","13.05","0.005","90","0","109.415","0.005","90","0","887.2","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0266","0.0257","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154793","9.1914","0.0002","17.0779","0.0003","10.5669","0.0002","90","","98.692","0.002","90","","1639.63","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Monomethyl (S)-pyrrolidin-2-ylmethyl 3-bromobenzoate-(1R,2R)-1-(3,4,5-trimethoxyphenyl)-6,7-methylenedioxy-1,2-dihydronaphthalene-2,3-dicarboxylate amide ester","","- C35 H34 Br N O10 -","- C35 H34 Br N O10 -","- C70 H68 Br2 N2 O20 -","2","1","","Lisiecki, Kamil; Krawczyk, Krzysztof K.; Roszkowski, Piotr; Maurin, Jan K.; Czarnocki, Zbigniew","Formal synthesis of (-)-podophyllotoxin through the photocyclization of an axially chiral 3,4-bisbenzylidene succinate amide ester - a flow photochemistry approach.","Organic & biomolecular chemistry","2015","14","2","460","469","10.1039/c5ob01844g","","","1.54184","CuKα","","0.0822","0.059","","","0.1468","0.1643","","","","","","1.032","","","","has coordinates","176143","2020-10-21","18:00:00",""
"7154794","3.9823","0.0006","11.7455","0.0017","16.58","0.002","86.931","0.003","84.919","0.003","89.788","0.003","771.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3a","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Li, Lei; Wang, Qian; Liu, Pei; Meng, Hua; Kan, Xing-Lan; Liu, Qun; Zhao, Yu-Long","DBU-mediated metal-free oxidative cyanation of α-amino carbonyl compounds: using molecular oxygen as the oxidant.","Organic & biomolecular chemistry","2016","14","1","165","171","10.1039/c5ob01690h","","","0.71073","MoKα","","0.0814","0.0509","","","0.1354","0.1617","","","","","","1.019","","","","has coordinates","176201","2020-10-21","18:00:00",""
"7154795","8.046","0.006","9.777","0.007","10.002","0.007","112.309","0.011","91.342","0.011","95.164","0.012","723.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I N2 O3 -","- C14 H13 I N2 O3 -","- C28 H26 I2 N4 O6 -","2","1","","Sun, Meng; Chen, Xiangxiang; Zhang, Liang; Sun, Wei; Wang, Zhe; Guo, Peiyu; Li, Ya-Min; Yang, Xiao-Juan","Efficient, versatile and practical palladium-catalyzed highly regioselective ortho-halogenation of azoxybenzenes.","Organic & biomolecular chemistry","2015","14","1","323","329","10.1039/c5ob02153g","","","0.71073","MoKα","","0.0627","0.0467","","","0.1318","0.1911","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154796","15.2163","0.0004","29.527","0.0015","20.3699","0.001","90","","92.916","0.003","90","","9140.2","0.7","123","2","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.62 H124.18 Cl7.05 N6 O10 -","- C89.612 H124.183 Cl7.041 N6 O10 -","- C358.448 H496.732 Cl28.164 N24 O40 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2346","0.0878","","","0.1596","0.2164","","","","","","1.011","","","","has coordinates,has disorder","176145","2020-10-21","18:00:00",""
"7154797","15.2333","0.0007","29.5603","0.0013","20.3969","0.0005","90","","92.992","0.002","90","","9172.2","0.6","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88.35 H120.9 Cl7.34 N6 O10.32 -","- C88.353 H120.897 Cl7.335 N6 O10.318 -","- C353.412 H483.588 Cl29.34 N24 O41.272 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2857","0.1139","","","0.2254","0.3056","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154798","13.6571","0.0012","7.7611","0.0007","14.968","0.0014","90","","91.63","0.002","90","","1585.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.132","0.0975","","","0.1684","0.1823","","","","","","1.242","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154799","13.7811","0.0012","13.3475","0.0011","16.9711","0.0015","90","","90","","90","","3121.7","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1092","0.1189","","","","","","1.054","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154800","6.9535","0.0001","8.5937","0.0001","30.8423","0.0005","90","","90","","90","","1843.02","0.05","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzene","2,5-Dimethyl-1-[4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenyl]-1H-pyrrole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min","Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.","Organic & biomolecular chemistry","2015","14","1","265","276","10.1039/c5ob02101d","","","0.71073","MoKα","","0.0512","0.0404","","","0.108","0.116","","","","","","1.038","","","","has coordinates","176191","2020-10-21","18:00:00",""
"7154801","6.82581","0.00005","12.0234","0.00007","14.6468","0.00009","90","","90","","90","","1202.06","0.013","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,7S,8aS)-1,2,7-trihydroxy-5,5-dimethyloctahydro-1H-indolizin-4-ium chloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","x-ray","1.54184","CuKα","","0.022","0.0217","","","0.0578","0.058","","","","","","1.034","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154802","7.96665","0.00007","10.06647","0.0001","31.833","0.0003","90","","90","","90","","2552.88","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol","","- C23 H43 N O7 Si -","- C23 H43 N O7 Si -","- C92 H172 N4 O28 Si4 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","","1.54184","CuKα","","0.0286","0.0278","","","0.0713","0.072","","","","","","1.041","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154803","7.824","0.0005","13.359","0.0005","20.5454","0.0009","90","","90","","90","","2147.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O8 -","- C19 H24 N2 O8 -","- C76 H96 N8 O32 -","4","1","","Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.","Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.","Organic & biomolecular chemistry","2016","14","24","5494","5499","10.1039/c5ob02178b","","x-ray","1.54184","CuKα","","0.0967","0.0562","","","0.1147","0.1372","","","","","","0.996","","","","has coordinates","183763","2020-10-21","18:00:00",""
"7154804","9.4301","0.0006","9.8683","0.0006","11.5227","0.0008","81.308","0.002","68.13","0.002","68.113","0.002","923.3","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0527","0.0403","","","0.1065","0.1185","","","","","","1.08","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154805","8.8536","0.0005","11.684","0.0007","16.873","0.001","90","","98.782","0.002","90","","1724.97","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C80 H60 N12 O24 -","4","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0528","0.0354","","","0.0758","0.0854","","","","","","1.037","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154806","12.9877","0.0003","7.4549","0.0002","31.4842","0.0009","90","","90","","90","","3048.36","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Xu, Zhenghu","Zn/Sc bimetallic relay catalysis: one pot cycloisomerization/carbonyl-ene reaction toward oxazole derivatives.","Organic & biomolecular chemistry","2016","14","3","826","829","10.1039/c5ob02158h","","","0.71073","MoKα","","0.1119","0.0892","","","0.2516","0.2703","","","","","","1.054","","","","has coordinates","176161","2020-10-21","18:00:00",""
"7154807","24.317","0.0011","13.776","0.0006","67.036","0.003","90","","91.6033","0.0013","90","","22447.7","1.7","100","2","100","2","","","","","","","soft coral","3","C 1 2 1","C 2y","5","","Isodecaryiol","","- C20 H34 O2 -","- C20 H34 O2 -","- C960 H1632 O96 -","48","12","","Rahelivao, Marie Pascaline; Gruner, Margit; Lübken, Tilo; Islamov, Daut; Kataeva, Olga; Andriamanantoanina, Hanta; Bauer, Ingmar; Knölker, Hans-Joachim","Chemical constituents of the soft corals Sinularia vanderlandi and Sinularia gravis from the coast of Madagascar.","Organic & biomolecular chemistry","2016","14","3","989","1001","10.1039/c5ob02280k","","x-ray","1.54178","CuKα","","0.0354","0.0347","","","0.1178","0.1187","","","","","","1.098","","","","has coordinates","176160","2020-10-21","18:00:00",""
"7154808","7.6694","0.0008","8.4024","0.0008","15.7611","0.0016","89.92","0.0019","88.182","0.002","88.417","0.0019","1014.77","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(cyclopropylmethylene)-2-methylisoindolin-1-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0565","0.0428","","","0.1032","0.1121","","","","","","1.019","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154809","11.9196","0.0005","14.6868","0.0007","6.4","0.0003","90","","96.769","0.001","90","","1112.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzylideneisoindolin-1-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0513","0.0424","","","0.1159","0.1216","","","","","","1.064","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154810","21.688","0.006","17.152","0.004","22.729","0.005","90","","115.043","0.003","90","","7660","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H77 Br2 Cl3 N14 O24 -","- C65 H77 Br2 Cl3 N14 O24 -","- C260 H308 Br8 Cl12 N56 O96 -","4","1","","Wang, Xu-Dong; Li, Sen; Ao, Yu-Fei; Wang, Qi-Qiang; Huang, Zhi-Tang; Wang, De-Xian","Oxacalix[2]arene[2]triazine based ion-pair transporters.","Organic & biomolecular chemistry","2016","14","1","330","334","10.1039/c5ob02291f","","","0.71073","MoKα","","0.1745","0.1495","","","0.3675","0.3798","","","","","","1.882","","","","has coordinates,has disorder","176200","2020-10-21","18:00:00",""
"7154811","9.547","0.003","7.151","0.0019","12.171","0.003","90","","111.479","0.003","90","","773.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C34 H40 Cl2 N2 -","2","1","","Chen, Yunwei; Sun, Xiang; Wu, Ningjie; Li, Jingbai; Jin, Shengnan; Zhong, Yongliang; Liu, Zirui; Rogachev, Andrey; Chong, Hyun-Soon","Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions.","Organic & biomolecular chemistry","2016","14","3","920","939","10.1039/c5ob01692d","","","0.71073","MoKα","","0.0322","0.0293","","","0.0702","0.0722","","","","","","1.03","","","","has coordinates","176165","2020-10-21","18:00:00",""
"7154812","16.2077","0.0003","8.43855","0.00016","12.5611","0.0003","90","","90","","90","","1717.98","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 O P -","- C20 H23 O P -","- C80 H92 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.","Organic & biomolecular chemistry","2016","14","4","1370","1381","10.1039/c5ob02143j","","","1.54184","CuKα","","0.0538","0.0535","","","0.1355","0.136","","","","","","1.091","","","","has coordinates","176151","2020-10-21","18:00:00",""
"7154813","11.5236","0.0015","7.0451","0.0009","19.746","0.003","90","","104.565","0.001","90","","1551.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,8-Dimethoxy-1,6b-dimethyl-1a,6b-dihydro-1H- benzofuro[2,3-b]indole","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Chai, Zhuo; Chen, Jia-Nan; Liu, Zhen; Li, Xue-Fei; Yang, Pei-Jun; Hu, Ji-Ping; Yang, Gaosheng","[3 + 2]-Annulations of N-alkyl-3-substituted indoles with quinone monoketals catalysed by Brønsted acids.","Organic & biomolecular chemistry","2016","14","3","1024","1030","10.1039/c5ob01876e","","","0.71073","MoKα","","0.0552","0.0432","","","0.1132","0.1222","","","","","","1.038","","","","has coordinates","176163","2020-10-21","18:00:00",""
"7154814","8.241","0.003","9.598","0.004","25.276","0.01","90","","99.148","0.006","90","","1973.8","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br Cl O3 -","- C20 H19 Br Cl O3 -","- C80 H76 Br4 Cl4 O12 -","4","1","","Anugu, Raghunath Reddy; Mainkar, Prathama S.; Sridhar, Balasubramanian; Chandrasekhar, Srivari","The Ireland-Claisen rearrangement strategy towards the synthesis of the schizophrenia drug, (+)-asenapine.","Organic & biomolecular chemistry","2016","14","4","1332","1337","10.1039/c5ob02047f","","","0.71073","MoKα","","0.1841","0.1232","","","0.3237","0.3589","","","","","","1.169","","","","has coordinates","176158","2020-10-21","18:00:00",""
"7154815","5.8334","0.0005","10.9763","0.0009","24.922","0.002","90","","90","","90","","1595.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aks_i_282_01","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C60 H64 N16 O16 S4 -","4","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","","0.71073","MoKα","","0.06","0.0448","","","0.0726","0.0754","","","","","","1.081","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154816","8.1772","0.0005","9.7706","0.0005","13.9947","0.0008","70.184","0.002","73.97","0.002","83.379","0.002","1010.72","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","AKS_I_393_01","","- C20 H17 Br N4 O4 S -","- C20 H17 Br N4 O4 S -","- C40 H34 Br2 N8 O8 S2 -","2","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","x-ray","0.71073","MoKα","","0.0437","0.0303","","","0.0599","0.0628","","","","","","1.025","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154817","7.2632","0.0002","14.5322","0.0004","16.5698","0.0006","90","","91.431","0.001","90","","1748.4","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(1E,4Z)-1-(9-ethyl-9H-carbazol-3-yl)-6,6,6-trifluoro-5-hydroxyhexa-1,4-dien-3-one","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C80 H64 F12 N4 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1311","0.0676","","","0.1843","0.2309","","","","","","1.103","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154818","22.4771","0.0008","12.8997","0.0008","15.6366","0.0008","90","","132.732","0.005","90","","3330.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(6-methoxynaphthalen-2-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C17 H12 B F5 O3 -","- C17 H12 B F5 O3 -","- C136 H96 B8 F40 O24 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1608","0.0612","","","0.1417","0.1897","","","","","","1.03","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154819","11.5387","0.0004","9.8453","0.0004","19.8519","0.0009","90","","117.76","0.001","90","","1995.65","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-4-isobutyl-6-(2-(pyren-1-yl)vinyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C25 H21 B F2 O2 -","- C25 H21 B F2 O2 -","- C100 H84 B4 F8 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2017","0.0796","","","0.2015","0.2477","","","","","","0.976","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154820","21.523","0.001","13.3264","0.0009","14.604","0.001","90","","95.233","0.007","90","","4171.3","0.4","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(pyren-1-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C22.12 H12 B Cl0.38 F5 O2 -","- C22.175 H12 B Cl0.35 F5 O2 -","- C177.4 H96 B8 Cl2.8 F40 O16 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2664","0.111","","","0.2749","0.3379","","","","","","0.922","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154821","8.058","0.0002","11.8497","0.0003","17.433","0.0005","90","","104.565","0.001","90","","1611.09","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-6-(4-(methylthio)styryl)-4-phenyl-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C18 H15 B F2 O2 S -","- C18 H15 B F2 O2 S -","- C72 H60 B4 F8 O8 S4 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.0964","0.0501","","","0.1161","0.1385","","","","","","1.04","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154822","8.3507","0.0013","8.6494","0.0014","9.0014","0.0015","79.307","0.003","84.564","0.003","79.146","0.003","626.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xu, Hua-Dong","Facile synthesis of aza-spirocyclopropanyl oxindoles by the reaction of 3-(2-bromoethyl)-indole with 2,3-dimethylimidazole-1-sulfonyl azide triflate.","Organic & biomolecular chemistry","2016","14","4","1272","1276","10.1039/c5ob02192h","","","0.71073","MoKα","","0.0457","0.0422","","","0.1353","0.1468","","","","","","1.113","","","","has coordinates","176150","2020-10-21","18:00:00",""
"7154823","11.562","0.006","6.267","0.002","19.695","0.01","90","","95.75","0.03","90","","1419.9","1.1","173","","173","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C60 H72 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0274","0.0264","","","0.0688","0.0694","","","","","","0.982","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154824","22.574","0.002","6.3537","0.0008","19.1603","0.0019","90","","90","","90","","2748.1","0.5","125","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C120 H144 F32 O8 -","8","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1709","0.1577","","","0.3205","0.3507","","","","","","1.547","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154825","6.192","0.005","13.935","0.009","10.252","0.008","90","","106.98","0.02","90","","846","1.1","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C32 H48 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.0672","0.0595","","","0.1484","0.1562","","","","","","0.969","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154826","18.859","0.013","10.647","0.007","8.927","0.006","90","","90","","90","","1792","2","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C64 H96 F32 O8 -","8","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1454","0.1118","","","0.3106","0.3346","","","","","","1.108","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154827","10.4475","0.0014","11.766","0.002","16.901","0.002","90","","100.766","0.003","90","","2041","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F4 N2 O2 -","- C21 H26 F4 N2 O2 -","- C84 H104 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.047","0.0466","","","0.1067","0.1077","","","","","","1.002","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154828","12.108","0.003","13.669","0.004","16.043","0.004","102.251","0.003","91.947","0.005","114.376","0.005","2341.3","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C104 H112 F16 N8 O8 -","4","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0775","0.0584","","","0.1483","0.1555","","","","","","0.94","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154829","10.0424","0.0016","10.27","0.002","10.882","0.002","83.19","0.03","64.29","0.02","74.1","0.02","972.5","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F4 N O3 -","- C20 H25 F4 N O3 -","- C40 H50 F8 N2 O6 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0507","0.0422","","","0.1081","0.1116","","","","","","0.87","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154830","8.5702","0.0017","21.691","0.004","11.256","0.002","90","","90.986","0.004","90","","2092.1","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F4 N2 O2 -","- C21 H23 F4 N2 O2 -","- C84 H92 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0902","0.0722","","","0.1929","0.2041","","","","","","1.022","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154831","11.187","0.006","11.294","0.005","12.18","0.006","92.707","0.004","116.606","0.005","116.789","0.005","1166.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C52 H56 F8 N4 O4 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.1158","0.0563","","","0.1364","0.1701","","","","","","0.906","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154832","9.768","0.003","10.296","0.003","22.978","0.006","90","","90","","90","","2310.9","1.1","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F4 N2 O3 -","- C25 H28 F4 N2 O3 -","- C100 H112 F16 N8 O12 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.079","0.0684","","","0.1943","0.2044","","","","","","0.831","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154833","12.2153","0.0002","13.5599","0.0002","18.6521","0.0003","95.666","0.001","104.369","0.001","107.679","0.001","2800.32","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-methoxypyrido[2',3':4,5]pyrrolo[1,2-<i>f</i>]phenanthridine","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","4","","Ngo, Thang Ngoc; Janert, Frank; Ehlers, Peter; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Lochbrunner, Stefan; Langer, Peter","Pd(0)-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions: efficient synthesis and photophysical properties of azaindolo[1,2-f]phenanthridines.","Organic & biomolecular chemistry","2016","14","4","1293","1301","10.1039/c5ob02274f","","","0.71073","MoKα","","0.0795","0.0501","","","0.1251","0.1469","","","","","","1.009","","","","has coordinates","176156","2020-10-21","18:00:00",""
"7154834","36.552","0.003","21.7842","0.0015","28.274","0.002","90","","109.553","0.001","90","","21215","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CB SG-2-161B","","- C75 H132 Cl N20 Na4 O48 S5 -","- C75 H90 N20 O27.96 S5 -","- C600 H720 N160 O223.68 S40 -","8","1","","Ganapati, Shweta; Zavalij, Peter Y.; Eikermann, Matthias; Isaacs, Lyle","In Vitro selectivity of an acyclic cucurbit[n]uril molecular container towards neuromuscular blocking agents relative to commonly used drugs.","Organic & biomolecular chemistry","2016","14","4","1277","1287","10.1039/c5ob02356d","","","0.71073","MoKα","","0.1118","0.0817","","","0.1773","0.1949","","","","","","1.055","","","","has coordinates,has disorder","176147","2020-10-21","18:00:00",""
"7154835","13.4868","0.0014","15.2064","0.0016","17.7733","0.0019","90","","107.75","0.002","90","","3471.5","0.6","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C140 H100 Cl4 F24 N8 O8 Pt4 S8 -","4","1","","Kamal, Ahmed; Ashraf, Md; Basha, Shaik Thokhir; Ali Hussaini, S. M.; Singh, Shamshair; Vishnuvardhan, M. V. P. S.; Kiran, Boppana; Sridhar, Balasubramanian","Design, synthesis and antiproliferative activity of the new conjugates of E7010 and resveratrol as tubulin polymerization inhibitors.","Organic & biomolecular chemistry","2016","14","4","1382","1394","10.1039/c5ob02022k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0735","0.0774","","","","","","1.018","","","","has coordinates","176154","2020-10-21","18:00:00",""
"7154836","12.0003","0.0005","5.4759","0.0002","17.9308","0.0008","90","","92.31","0.002","90","","1177.32","0.08","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0756","0.0492","","0.1498","0.1253","0.1498","","","","","","1.0312","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154837","6.5458","0.0001","8.4459","0.0002","13.2079","0.0003","90","","99.9683","0.0009","90","","719.18","0.03","150","","150","","","","","","","","syn","3","P 1 21 1","P 2yb","4","","","","- C19 H21 N -","- C19 H21 N -","- C38 H42 N2 -","2","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0335","0.0314","","0.0803","0.077","0.0803","","","","","","0.9287","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154838","9.4554","0.0001","10.6808","0.0002","12.7524","0.0002","90","","92.8615","0.0007","90","","1286.27","0.03","150","","150","","","","","","","","syn","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0496","0.04","","0.1138","0.0982","0.0937","","","","","","0.8803","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154839","6.019","0.0001","8.0659","0.0002","23.9029","0.0005","90","","91.3683","0.0011","90","","1160.12","0.04","150","","150","","","","","","","","Syn","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0608","0.0452","","0.116","0.1052","0.116","","","","","","0.9517","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154840","8.8066","0.0001","13.3703","0.0002","12.5739","0.0002","90","","105.106","0.0005","90","","1429.38","0.04","150","","150","","","","","","","","syn","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0371","0.0326","","0.0772","0.073","0.0772","","","","","","0.8809","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154843","11.71049","0.00013","11.80555","0.00011","52.7036","0.0005","90","","90","","90","","7286.21","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5e","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C320 H400 N16 O32 -","16","4","","Wu, Shaotong; Yin, Qianqian; Zhao, Liang; Fan, Ningning; Tang, Xiaowan; Zhao, Jianxiong; Sheng, Tao; Guo, Ying; Tian, Chao; Zhang, Zhili; Xu, Weisi; Liu, Zhenming; Jiang, Shibo; Ma, Liying; Liu, Junyi; Wang, Xiaowei","A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants.","Organic & biomolecular chemistry","2016","14","4","1413","1420","10.1039/c5ob02154e","","","1.54184","CuKα","","0.0451","0.0433","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154844","11.1239","0.0003","8.9956","0.0002","15.6586","0.0004","90","","105.218","0.002","90","","1511.95","0.07","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Bai, Mei; You, Yong; Chen, Yong-Zheng; Xiang, Guang-Yan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","An unprecedented protocol for the synthesis of 3-hydroxy-3-phenacyloxindole derivatives with indolin-2-ones and α-substituted ketones.","Organic & biomolecular chemistry","2016","14","4","1395","1401","10.1039/c5ob02391b","","","1.54184","CuKα","","0.045","0.0422","","","0.1106","0.1128","","","","","","1.065","","","","has coordinates","176152","2020-10-21","18:00:00",""
"7154845","5.8682","0.0004","15.5218","0.0014","14.1795","0.0013","90","","92.445","0.001","90","","1290.36","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 O2 P S -","- C31 H37 O2 P S -","- C62 H74 O4 P2 S2 -","2","1","","Yao, Lan; Liu, Li-Juan; Xu, Zhong-Yuan; Nie, Shao-Zhen; Xiao, Xiao-Qing; Zhao, Chang-Qiu","Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.","Organic & biomolecular chemistry","2016","14","5","1702","1706","10.1039/c5ob01871d","","","0.71073","MoKα","","0.2086","0.1142","","","0.2511","0.3049","","","","","","0.919","","","","has coordinates","176178","2020-10-21","18:00:00",""
"7154846","11.6441","0.0004","19.004","0.0011","15.7545","0.0008","90","","104.803","0.003","90","","3370.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl N4 O5 -","- C36 H39 Cl N4 O5 -","- C144 H156 Cl4 N16 O20 -","4","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.1818","0.1032","","","0.2658","0.3048","","","","","","1.104","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154847","8.4156","0.0005","11.6638","0.0008","14.9936","0.0008","87.286","0.005","83.22","0.004","82.716","0.005","1448.87","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl N4 O4 -","- C32 H33 Cl N4 O4 -","- C64 H66 Cl2 N8 O8 -","2","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.2429","0.1298","","","0.3206","0.4035","","","","","","2.257","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154848","10.0374","0.0001","12.6398","0.0001","21.0812","0.0002","90","","90","","90","","2674.59","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LM-56","compound 1","","- C28 H38 O11 -","- C28 H38 O11 -","- C112 H152 O44 -","4","1","","An, Fa-Liang; Luo, Jun; Wang, Xiao-Bing; Yang, Ming-Hua; Kong, Ling-Yi","Trichiconlides A and B: two novel limonoids from the fruits of Trichilia connaroides.","Organic & biomolecular chemistry","2016","14","4","1231","1235","10.1039/c5ob02300a","","","1.54184","CuKα","","0.0395","0.0393","","","0.111","0.1114","","","","","","1.078","","","","has coordinates,has disorder","176157","2020-10-21","18:00:00",""
"7154849","8.1681","0.0014","11.8","0.002","12.478","0.002","114.931","0.003","91.661","0.003","99.121","0.003","1070.6","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O6 S -","- C19 H22 F3 N O6 S -","- C38 H44 F6 N2 O12 S2 -","2","1","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.1053","0.0605","","","0.1631","0.1914","","","","","","1.044","","","","has coordinates","176153","2020-10-21","18:00:00",""
"7154850","17.0861","0.0005","17.2584","0.0007","17.3652","0.0007","66.864","0.004","87.873","0.003","66.771","0.003","4284.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br N O6 -","- C22 H24 Br N O6 -","- C176 H192 Br8 N8 O48 -","8","4","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","1.54184","CuKα","","0.0593","0.0495","","","0.125","0.1299","","","","","","0.959","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154851","10.0957","0.0006","10.7765","0.0006","18.4533","0.0011","95.177","0.001","90.51","0.001","94.559","0.001","1992.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.0579","0.0415","","","0.0892","0.0982","","","","","","1.015","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154852","6.95182","0.00016","12.228","0.0003","30.5046","0.0006","90","","95.654","0.002","90","","2580.48","0.1","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3aRS,5aRS,9aRS,9bRS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0633","0.0487","","","0.1285","0.1362","","","","","","1.039","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154853","7.4631","0.0004","8.1068","0.0004","10.7071","0.0005","89.047","0.004","89.71","0.004","89.044","0.004","647.61","0.06","132","30","132","30","","","","","","","","3","P -1","-P 1","2","","(3aRS,5aRS,9aSR,9bRS)-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54181","CuKα","","0.0439","0.0395","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has disorder","176187","2020-10-21","18:00:00",""
"7154854","23.0721","0.001","6.5804","0.0002","26.2324","0.0011","90","","117.509","0.005","90","","3532.4","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4aSR,8SR,8aSR)-8-((tert-butyldimethylsilyl)oxy)-4a-methyloctahydronaphthalen-1(2H)-one","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C136 H256 O16 Si8 -","8","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0386","0.0349","","","0.0925","0.0961","","","","","","1.043","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154855","9.7918","0.0015","10.8744","0.0017","17.136","0.003","90","","90","","90","","1824.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Zhu, Ling; Yu, Chenxia; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Yao, Changsheng","N-Heterocyclic carbene-catalyzed [4 + 2] cyclization of α,β-unsaturated carboxylic acids bearing γ-H with isatins: an enantioselective synthesis of spirocyclic oxindole-dihydropyranones.","Organic & biomolecular chemistry","2016","14","4","1485","1491","10.1039/c5ob02160j","","","0.71073","MoKα","","0.0347","0.0284","","","0.0742","0.077","","","","","","1.053","","","","has coordinates","176155","2020-10-21","18:00:00",""
"7154856","6.8943","0.0002","11.6898","0.0004","32.2785","0.0011","90","","90","","90","","2601.42","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Suprasterol analog","","- C27 H46 O4 -","- C27 H46 O4 -","- C108 H184 O16 -","4","1","","Kulesza, Urszula; Plum, Lori A.; DeLuca, Hector F.; Mouriño, Antonio; Sicinski, Rafal R.","A new suprasterol by photochemical reaction of 1α,25-dihydroxy-9-methylene-19-norvitamin D3.","Organic & biomolecular chemistry","2016","14","5","1646","1652","10.1039/c5ob01896j","","","0.71073","MoKα","","0.0592","0.043","","","0.0914","0.099","","","","","","1.04","","","","has coordinates","176180","2020-10-21","18:00:00",""
"7154857","21.0057","0.0003","4.0646","0.0001","12.0663","0.0002","90","","90","","90","","1030.22","0.03","200","0.1","200","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0674","0.0684","","","","","","1.063","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154858","7.5439","0.0001","23.345","0.0004","5.8584","0.0001","90","","96.946","0.002","90","","1024.16","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0339","0.0314","","","0.0843","0.0875","","","","","","1.046","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154859","16.6008","0.0008","13.5612","0.0007","21.8151","0.0011","90","","106.926","0.001","90","","4698.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-chloro-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((phenylthio)imino)-3,4,5,6,7,8-hexahydro-2H-chromene-3-carbonitrile","","- C24 H20 Cl2 N2 O2 S -","- C24 H20 Cl2 N2 O2 S -","- C192 H160 Cl16 N16 O16 S8 -","8","2","","Kale, Ashok; Chennapuram, Madhu; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One pot oxidative N-S bond formation to access 2-sulfenylimine chromenes.","Organic & biomolecular chemistry","2015","14","2","582","589","10.1039/c5ob01790d","","","0.71073","MoKα","","0.0842","0.0633","","","0.1341","0.1452","","","","","","1.128","","","","has coordinates","172040","2020-10-21","18:00:00",""
"7154860","16.6528","0.0007","6.6881","0.0003","13.5348","0.0006","90","","113.809","0.002","90","","1379.16","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-carbonylbis(4<i>H</i>-chromen-4-one)","","- C19 H10 O5 -","- C19 H10 O5 -","- C76 H40 O20 -","4","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0484","0.041","","","0.1032","0.1076","","","","","","1.021","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7154861","6.9459","0.0003","8.6534","0.0004","14.8426","0.0007","74.281","0.002","81.211","0.002","68.824","0.002","799.27","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","3,3'-carbonylbis(6-methoxy-4<i>H</i>-chromen-4-one)","","- C21 H14 O7 -","- C21 H14 O7 -","- C42 H28 O14 -","2","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0491","0.0387","","","0.0984","0.1057","","","","","","1.062","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7154862","4.7377","0.0005","21.5338","0.0019","10.5144","0.0008","90","","101.413","0.009","90","","1051.48","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidacloprid-olefin","","","- C9 H8 Cl N5 O2 -","- C9 H8 Cl N5 O2 -","- C36 H32 Cl4 N20 O8 -","4","1","","Fusetto, Roberto; White, Jonathan M.; Hutton, Craig A.; O'Hair, Richard A J","Structure of olefin-imidacloprid and gas-phase fragmentation chemistry of its protonated form.","Organic & biomolecular chemistry","2016","14","5","1715","1726","10.1039/c5ob02371h","","","1.5418","CuKα","","0.0654","0.0525","","","0.1398","0.1554","","","","","","1.091","","","","has coordinates","176175","2020-10-21","18:00:00",""
"7154863","6.892","0.0014","16.172","0.003","25.048","0.006","90","","100.1","0.03","90","","2748.5","1","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Ge, Qingmei; Li, Bin; Wang, Baiquan","Synthesis of substituted benzo[ij]imidazo[2,1,5-de]quinolizine by rhodium(iii)-catalyzed multiple C-H activation and annulations.","Organic & biomolecular chemistry","2016","14","5","1814","1821","10.1039/c5ob02515j","","","0.71073","MoKα","","0.0989","0.0668","","","0.1513","0.169","","","","","","1.064","","","","has coordinates,has disorder","176176","2020-10-21","18:00:00",""
"7154864","16.4941","0.0007","16.4941","0.0007","24.5221","0.0009","90","","90","","90","","6671.4","0.5","100","0.1","100","0.1","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C69 H78 Cl2 N4 O14 -","- C69 H78 Cl2 N4 O14 -","- C276 H312 Cl8 N16 O56 -","4","0.5","","Grzybowski, Marek; Jeżewski, Artur; Deperasińska, Irena; Friese, Daniel H.; Banasiewicz, Marzena; Hugues, Vincent; Kozankiewicz, Bolesław; Blanchard-Desce, Mireille; Gryko, Daniel T.","Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrrole.","Organic & biomolecular chemistry","2016","14","6","2025","2033","10.1039/c5ob02583d","","","1.54184","CuKα","","0.1402","0.0749","","","0.1875","0.2164","","","","","","0.961","","","","has coordinates","176172","2020-10-21","18:00:00",""
"7154865","8.894","0.003","8.626","0.003","23.755","0.009","90","","99.61","0.007","90","","1796.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Mayakrishnan, Sivakalai; Arun, Yuvaraj; Balachandran, Chandrasekar; Emi, Nobuhiko; Muralidharan, Doraiswamy; Perumal, Paramasivan Thirumalai","Synthesis of cinnolines via Rh(iii)-catalysed dehydrogenative C-H/N-H functionalization: aggregation induced emission and cell imaging.","Organic & biomolecular chemistry","2016","14","6","1958","1968","10.1039/c5ob02045j","","","0.71073","MoKα","","0.0986","0.0524","","","0.125","0.147","","","","","","1.004","","","","has coordinates","176173","2020-10-21","18:00:00",""
"7154866","12.02","0.003","12.515","0.005","15.361","0.005","89.45","0.02","69.94","0.014","72.86","0.016","2063.4","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl N3 O3 -","- C43 H36 Cl N3 O3 -","- C86 H72 Cl2 N6 O6 -","2","2","","Huang, Huicai; Bihani, Manisha; Zhao, John C.-G.","Stereoselective synthesis of spirooxindole derivatives using an organocatalyzed tandem Michael-Michael reaction.","Organic & biomolecular chemistry","2016","14","5","1755","1763","10.1039/c5ob02348c","","","0.71073","MoKα","","0.1406","0.1237","","","0.3204","0.3419","","","","","","1.954","","","","has coordinates","176179","2020-10-21","18:00:00",""
"7154867","9.9232","0.0013","21.836","0.002","11.4086","0.0013","90","","96.272","0.004","90","","2457.3","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.0523","0.0484","","","0.1405","0.143","","","","","","1.041","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154868","11.829","0.003","11.011","0.003","16.248","0.004","90","","93.341","0.007","90","","2112.7","0.9","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O2 P -","- C26 H27 O2 P -","- C104 H108 O8 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.041","0.0369","","","0.109","0.1113","","","","","","1.078","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154869","9.345","0.004","10.512","0.003","14.341","0.004","98.497","0.002","106.816","0.011","110.513","0.008","1213.3","0.7","125","","125","","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","2","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","1.54187","CuKα","","0.0589","0.057","","","0.1352","0.1371","","","","","","1.027","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154870","10.0529","0.0007","10.0781","0.0008","13.2162","0.0009","79.723","0.005","74.59","0.006","72.609","0.007","1224.69","0.16","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(rac)-(5S,6S,7S,8R)-Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-5-(3,4,5-trimethoxyphenyl) -7-( dimethoxyphosphoryl)-, methyl ester","","- C24 H29 O11 P -","- C24 H29 O11 P -","- C48 H58 O22 P2 -","2","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","x-ray","1.54184","CuKα","","0.0663","0.0589","","","0.1887","0.2115","","","","","","1.156","","","","has coordinates","176185","2020-10-21","18:00:00",""
"7154871","10.9953","0.0004","27.3594","0.0008","9.1869","0.0004","90","","111.321","0.004","90","","2574.5","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac)-(5R,6R,7S,8R)-5,8-Epoxynaphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(dimethoxyphosphoryl) -5-(3,4,5-trimethoxyphenyl)-, methyl ester","","- C24 H27 O11 P -","- C24 H27 O11 P -","- C96 H108 O44 P4 -","4","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","","0.71073","MoKα","","0.0664","0.0599","","","0.1806","0.1879","","","","","","1.076","","","","has coordinates,has disorder","176185","2020-10-21","18:00:00",""
"7154872","9.9116","0.0019","24.089","0.004","12.239","0.002","90","","95.877","0.003","90","","2906.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide","","- C52 H74 N8 O16 S2 -","- C52 H74 N8 O16 S2 -","- C104 H148 N16 O32 S4 -","2","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.1015","0.0604","","","0.0976","0.1139","","","","","","1.079","","","","has coordinates,has disorder","176167","2020-10-21","18:00:00",""
"7154873","15.515","0.004","17.783","0.005","22.102","0.006","90","","90","","90","","6098","3","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(Quinoxaline-2-carbonyl)-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val]2 (Serine-hydroxy)-Dilactone Disulfide","","- C50 H68 N12 O15 S2 -","- C50 H62 N12 O15 S2 -","- C200 H248 N48 O60 S8 -","4","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.2746","0.1654","","","0.372","0.4402","","","","","","1.098","","","","has coordinates","176167","2020-10-21","18:00:00",""
"7154874","9.2664","0.0007","23.3329","0.0017","14.1502","0.0011","90","","107.667","0.002","90","","2915.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N3 O2 -","- C34 H37 N3 O2 -","- C136 H148 N12 O8 -","4","1","","Biswal, Biswonath; Mallick, Debajani; Bag, Bamaprasad","Signaling preferences of substituted pyrrole coupled six-membered rhodamine spirocyclic probes for Hg(2+) ion detection.","Organic & biomolecular chemistry","2016","14","7","2241","2248","10.1039/c5ob02606g","","","0.71073","MoKα","","0.1674","0.0872","","","0.2039","0.25","","","","","","1.044","","","","has coordinates","177899","2020-10-21","18:00:00",""
"7154875","11.9899","0.0009","12.8443","0.0013","13.7345","0.0009","106.461","0.007","90.28","0.006","95.846","0.007","2016.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","1.54184","CuKα","","0.1308","0.0947","","","0.2736","0.3265","","","","","","1.043","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154876","9.1585","0.0003","15.4867","0.0004","15.0435","0.0004","90","","107.598","0.003","90","","2033.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0675","0.047","","","0.1211","0.1394","","","","","","1.097","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154877","9.2495","0.001","8.8594","0.0007","26.022","0.003","90","","115.322","0.012","90","","1927.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0991","0.0685","","","0.2078","0.258","","","","","","1.108","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154878","8.3205","0.0003","26.25","0.001","8.5535","0.0003","90","","100.859","0.004","90","","1834.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0788","0.0597","","","0.1934","0.2293","","","","","","1.163","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154879","8.9739","0.0013","9.832","0.0014","11.477","0.0016","108.891","0.003","91.301","0.003","95.799","0.003","951.5","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ritmc11","","","- C20 H21 Cl O2 Si -","- C20 H21 Cl O2 Si -","- C40 H42 Cl2 O4 Si2 -","2","1","","Thomas, Thomas J.; Merritt, Benjamin A.; Lemma, Betsegaw E.; McKoy, Adina M.; Nguyen, Tri; Swenson, Andrew K.; Mills, Jeffrey L.; Coleman, Michael G.","Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i) N-heterocyclic carbene complexes.","Organic & biomolecular chemistry","2016","14","5","1742","1747","10.1039/c5ob02259b","","","0.71073","MoKα","","0.0417","0.0334","","","0.093","0.0985","","","","","","1.041","","","","has coordinates","176177","2020-10-21","18:00:00",""
"7154880","9.3651","0.0003","19.533","0.0006","12.7944","0.0004","90","","109.83","0.001","90","","2201.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N5 O5 S3 -","- C17 H27 N5 O5 S3 -","- C68 H108 N20 O20 S12 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0433","0.0321","","","0.0782","0.0835","","","","","","1.021","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154881","8.9413","0.0004","11.7201","0.0005","13.5584","0.0006","95.727","0.001","94.027","0.001","105.992","0.001","1351.91","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O7 S2 -","- C24 H29 Cl2 N3 O7 S2 -","- C48 H58 Cl4 N6 O14 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0358","0.0307","","","0.0766","0.0801","","","","","","0.993","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154882","8.9873","0.0005","11.099","0.0006","13.0584","0.0007","70.595","0.001","76.291","0.001","83.975","0.002","1193.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C46 H54 N6 O12 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0502","0.0379","","","0.1018","0.1091","","","","","","1.016","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154883","11.7894","0.0015","14.752","0.002","14.5737","0.0019","90","","113.86","","90","","2318","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C92 H108 N12 O24 S8 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0761","0.0391","","","0.0681","0.0748","","","","","","0.816","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154884","12.9462","0.0007","14.7915","0.0007","21.2167","0.0008","90","","90","","90","","4062.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O6 S -","- C18 H23 N3 O6 S -","- C144 H184 N24 O48 S8 -","8","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0996","0.0565","","","0.1307","0.1488","","","","","","1.062","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154885","8.926","0.0008","15.4665","0.0007","17.789","0.0015","90","","99.9","0.003","90","","2419.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O3 S -","- C27 H28 N4 O3 S -","- C108 H112 N16 O12 S4 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.1628","0.0734","","","0.1359","0.1645","","","","","","1.015","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154886","22.546","0.014","9.314","0.01","10.283","0.009","90","","98.43","0.06","90","","2136","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0697","0.0415","","","0.0902","0.0974","","","","","","0.869","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154887","12.1292","0.0018","14.039","0.002","12.6549","0.0019","90","","115.27","0.003","90","","1948.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N O4 Si -","- C17 H31 N O4 Si -","- C68 H124 N4 O16 Si4 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0645","0.0408","","","0.0901","0.0961","","","","","","0.896","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154888","10.4841","0.0007","13.2138","0.0009","33.919","0.002","90","","93.494","0.001","90","","4690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C208 H264 N8 O40 -","8","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.094","0.0449","","","0.0962","0.1167","","","","","","0.87","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154889","11.874","0.003","18.239","0.004","9.829","0.002","90","","94.881","0.004","90","","2120.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.1041","0.0534","","","0.0905","0.1032","","","","","","0.928","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154890","13.818","0.002","14.714","0.002","14.863","0.003","76.01","0.004","82.84","0.004","70.291","0.003","2757.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N3 O7 S -","- C30 H30 N3 O7 S -","- C120 H120 N12 O28 S4 -","4","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.2054","0.0668","","","0.1249","0.2176","","","","","","0.82","","","","has coordinates,has disorder","176168","2020-10-21","18:00:00",""
"7154891","12.5236","0.0003","7.538","0.0002","12.9539","0.0003","90","","92.676","0.002","90","","1221.55","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0556","0.0482","","","0.1157","0.123","","","","","","1.037","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154892","13.1356","0.0002","7.0352","0.0001","14.6189","0.0002","90","","112.865","0.0008","90","","1244.81","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0546","0.0474","","","0.1106","0.13","","","","","","1.28","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154893","8.1388","0.0002","9.6226","0.0002","9.754","0.0002","117.197","0.0015","112.306","0.0017","92.1331","0.0015","607.64","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C28 H22 N2 O4 S2 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0415","0.0347","","","0.0909","0.0958","","","","","","1.046","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154894","4.7902","0.0001","12.6722","0.0002","16.8843","0.0003","90","","90","","90","","1024.92","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","1.54184","CuKα","","0.044","0.0418","","","0.1174","0.1206","","","","","","1.062","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154895","27.353","0.006","10.741","0.002","26.149","0.005","90","","107.5","0.03","90","","7327","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium di(bis(diphenylphosphino)methane)hexacyanodimolybdate .dihydrate.2 acetonitrile","","- C76 H90 Mo2 N9 O2 P4 -","- C76 H90 Mo2 N9 O2 P4 -","- C304 H360 Mo8 N36 O8 P16 -","4","0.5","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0995","0.0602","","","0.1166","0.1311","","","","","","1.052","","","","has coordinates","177905","2020-10-21","18:00:00",""
"7154896","12.1784","0.0003","10.455","0.0002","22.4818","0.0004","90","","99.8798","0.0018","90","","2820.05","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H88 O11 Si -","- C55 H88 O11 Si -","- C110 H176 O22 Si2 -","2","1","","Zhang, Wenxuan; Wu, Jun; Li, Bo; Wu, Hongna; Wang, Liu; Hao, Jie; Wu, Song; Zhou, Qi","Structure-activity & structure-toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives.","Organic & biomolecular chemistry","2016","14","10","2840","2845","10.1039/c5ob02303c","","x-ray","1.54184","CuKα","","0.0541","0.0447","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates","177910","2020-10-21","18:00:00",""
"7154897","12.087","0.003","21.192","0.005","12.419","0.003","90","","93.461","0.005","90","","3175.3","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0269","0.0259","","","0.0619","0.0627","","","","","","1.031","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154898","10.4651","0.0007","27.3604","0.0018","11.6914","0.0009","90","","112.634","0.002","90","","3089.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0635","0.0424","","","0.1242","0.162","","","","","","1.106","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154899","9.6198","0.0008","11.1689","0.0009","13.4682","0.0006","113.744","0.006","93.929","0.005","90.612","0.007","1320.3","0.18","251","18","251","18","","","","","","","","5","P -1","-P 1","2","","spiroindolopyrrole","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C64 H48 Br2 N6 O6 -","2","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.7107","MoKα","","0.0877","0.0513","","","0.1299","0.162","","","","","","0.883","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154900","13.4366","0.0009","9.3183","0.0006","23.8673","0.0016","90","","91.562","0.001","90","","2987.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spiroindoloimidazolidine","imidazolidine","","- C36 H31 N3 O3 S -","- C36 H31 N3 O3 S -","- C144 H124 N12 O12 S4 -","4","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.71073","MoKα","","0.0633","0.05","","","0.1323","0.1412","","","","","","1.032","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154901","7.1207","0.0005","7.6201","0.0005","25.3427","0.0017","90","","96.993","0.001","90","","1364.88","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(hydroxymethyl)phenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.0391","0.0376","","","0.107","0.1085","","","","","","1.1","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154902","5.8608","0.0011","13.688","0.003","27.498","0.005","90","","90","","90","","2206","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.1676","0.1288","","","0.2958","0.3111","","","","","","1.075","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154903","24.4271","0.0014","3.7892","0.0003","14.3031","0.0007","90","","90","","90","","1323.88","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-formylphenyl)-2-naphthamide","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","","0.71073","MoKα","","0.0457","0.0372","","","0.0934","0.097","","","","","","1.06","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154904","11.98","0.003","13.777","0.003","14.492","0.003","83.296","0.005","80.97","0.005","87.489","0.005","2345.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H21 Cl2 N2 O3.5 -","- C25.5 H21 Cl2 N2 O3.5 -","- C102 H84 Cl8 N8 O14 -","4","2","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.1326","0.0787","","","0.1858","0.2211","","","","","","1.005","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154905","7.0166","0.0005","13.28","0.0009","13.9998","0.001","66.514","0.001","85.309","0.001","89.301","0.001","1192.13","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl5 N2 O2 -","- C25 H17 Cl5 N2 O2 -","- C50 H34 Cl10 N4 O4 -","2","1","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.0681","0.0537","","","0.1357","0.1467","","","","","","1.053","","","","has coordinates","177903","2020-10-21","18:00:00",""
"7154906","10.8633","0.0016","11.9397","0.0018","12.4101","0.0019","88.791","0.002","73.634","0.002","78.963","0.002","1514.9","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H41 N3 O5 S -","- C31 H41 N3 O5 S -","- C62 H82 N6 O10 S2 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1804","0.1921","","","","","","1.024","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154907","15.3949","0.0014","9.5101","0.0009","16.3426","0.0015","90","","110.86","0.002","90","","2235.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.067","0.0545","","","0.1323","0.1416","","","","","","0.95","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154908","10.4217","0.0009","10.697","0.0009","11.331","0.001","68.223","0.001","65.391","0.001","66.066","0.001","1018.2","0.15","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0589","0.0491","","","0.1214","0.1288","","","","","","1.05","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154909","20.7675","0.0011","9.1432","0.0004","22.9483","0.0013","90","","90","","90","","4357.5","0.4","122","2","122","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0682","0.0396","","","0.0814","0.0923","","","","","","1.032","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154910","8.4949","0.0003","9.3648","0.0004","13.7906","0.0006","109.695","0.0014","101.587","0.0012","94.8212","0.0013","998.07","0.07","122","","122","","","","","","","","","3","P -1","-P 1","2","","2,3,7-triphenylazulene-1-carbonitrile","","- C29 H19 N -","- C29 H19 N -","- C58 H38 N2 -","2","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0757","0.0492","","","0.1197","0.1334","","","","","","1.023","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154911","7.8828","0.0006","19.5599","0.0018","15.6723","0.0015","90","","99.621","0.003","90","","2382.5","0.4","122","2","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N Si -","- C28 H31 N Si -","- C112 H124 N4 Si4 -","4","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","","0.71073","MoKα","","0.0612","0.0402","","","0.1126","0.1301","","","","","","0.941","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154912","12.438","0.007","11.805","0.007","8.68","0.004","90","","105.022","0.011","90","","1230.9","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl-a-hydroxy(quinoline-2-yl)propanoate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Kumar, Rakesh; Kumar, Inder; Sharma, Ritika; Sharma, Upendra","Catalyst and solvent-free alkylation of quinoline N-oxides with olefins: A direct access to quinoline-substituted α-hydroxy carboxylic derivatives.","Organic & biomolecular chemistry","2016","14","9","2613","2617","10.1039/c5ob02600h","","","1.5419","CuKα","","","0.0496","","","","0.1532","","","","","","1.134","","","","has coordinates","177931","2020-10-21","18:00:00",""
"7154913","7.1213","0.0003","8.9288","0.0003","29.9909","0.0012","90","","90","","90","","1906.96","0.13","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.35 H24.7 N2 O8 -","- C19.35 H24.7 N2 O8 -","- C77.4 H98.8 N8 O32 -","4","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.34139","GaKα","","0.0436","0.0422","","","0.1084","0.1096","","","","","","1.096","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154914","14.2003","0.0003","7.6452","0.0002","17.2049","0.0004","90","","113.49","0.001","90","","1713.05","0.07","100.15","","100.15","","","","","","","","Synthesized by the authors. See text.","4","P 1 21 1","P 2yb","4","","","","- C40 H35 N3 O10 -","- C40 H35 N3 O10 -","- C80 H70 N6 O20 -","2","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.54178","CuKα","","0.0693","0.0555","","","0.1381","0.1437","","","","","","0.974","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154915","8.8629","0.001","9.1256","0.001","10.0677","0.0011","64.158","0.002","68.43","0.002","81.687","0.002","681.4","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 S -","- C15 H13 Cl N2 S -","- C30 H26 Cl2 N4 S2 -","2","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","Dual role of p-tosylchloride: copper-catalyzed sulfenylation and metal free methylthiolation of imidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","7","2282","2290","10.1039/c5ob02475g","","","0.71073","MoKα","","0.0352","0.0341","","","0.0917","0.0926","","","","","","1.084","","","","has coordinates","177904","2020-10-21","18:00:00",""
"7154916","9.1243","0.0003","11.1741","0.0003","13.3627","0.0005","90","","103.947","0.0013","90","","1322.24","0.08","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4bS,4b1S,6R,7S,7aR,12bS)-7-(benzyloxy)-6-((benzyloxy)methyl)-4b1,6,7,7a,12b,13-hexahydro-4bH-benzo[h]chromeno[2,3,4-de]chromene","","- C33 H31 N O4 -","- C33 H31 N O4 -","- C66 H62 N2 O8 -","2","1","","Moshapo, Paseka T.; Sokamisa, Mokela; Mmutlane, Edwin M.; Mampa, Richard M.; Kinfe, Henok H.","A convenient domino Ferrier rearrangement-intramolecular cyclization for the synthesis of novel benzopyran-fused pyranoquinolines.","Organic & biomolecular chemistry","2016","14","24","5627","5638","10.1039/c5ob02536b","","","0.71073","MoKα","","0.0554","0.0404","","","0.0949","0.106","","","","","","1.097","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154917","5.9198","0.0002","8.4943","0.0004","26.9054","0.0011","90","","90","","90","","1352.93","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O S2 -","- C14 H11 Br O S2 -","- C56 H44 Br4 O4 S8 -","4","1","","Yu, Jin-Sheng; Wu, Wen-Biao; Zhou, Feng","The first catalytic asymmetric thioacetalization by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2016","14","7","2205","2209","10.1039/c5ob02495a","","","0.71073","MoKα","","0.0316","0.0266","","","0.0608","0.063","","","","","","1.037","","","","has coordinates","177901","2020-10-21","18:00:00",""
"7154918","11.116","0.003","11.26","0.003","11.711","0.003","63.523","0.015","71.584","0.017","69.128","0.017","1204.2","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C54 H60 N4 O10 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.71075","MoKα","","0.0527","0.0421","","","0.0969","0.1031","","","","","","1.04","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154919","9.777","0.005","10.159","0.005","10.306","0.005","102.265","0.007","100.48","0.006","90.508","0.008","982.4","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N3 O6 -","- C16 H27 N3 O6 -","- C32 H54 N6 O12 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.7107","MoKα","","","0.0518","","","","0.167","","","","","","0.733","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154920","8.0789","0.0005","5.2425","0.0005","31.267","0.002","90","","95.173","0.005","90","","1318.88","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 F2 -","- C14 H10 Br2 F2 -","- C56 H40 Br8 F8 -","4","1","","Galán, Elena; Perrin, Mickael L.; Lutz, Martin; van der Zant, Herre S. J.; Grozema, Ferdinand C.; Eelkema, Rienk","Synthesis of 1,2-biphenylethane based single-molecule diodes.","Organic & biomolecular chemistry","2016","14","8","2439","2443","10.1039/c6ob00008h","","","0.71073","MoKα","","0.0821","0.0675","","","0.1836","0.194","","","","","","1.18","","","","has coordinates","177917","2020-10-21","18:00:00",""
"7154921","6.4983","0.0017","10.457","0.003","27.274","0.007","90","","90","","90","","1853.3","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 I N O5 -","- C16 H20 I N O5 -","- C64 H80 I4 N4 O20 -","4","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0905","0.0454","","","0.0756","0.0924","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154922","9.834","0.0009","8.999","0.0008","14.7646","0.0014","90","","106.422","0.0014","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 I N O6 -","- C27 H26 I N O6 -","- C54 H52 I2 N2 O12 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0352","0.0281","","","0.059","0.0626","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154923","6.5131","0.0013","16.581","0.003","8.9446","0.0018","90","","95.961","0.003","90","","960.7","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N O5 -","- C17 H22 I N O5 -","- C34 H44 I2 N2 O10 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.048","0.0374","","","0.0725","0.0765","","","","","","0.964","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154924","9.9601","0.0008","10.8355","0.0007","23.6278","0.0013","90","","90","","90","","2550","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","1.54184","CuKα","","0.0585","0.0479","","","0.1291","0.1383","","","","","","1.071","","","","has coordinates","177922","2020-10-21","18:00:00",""
"7154925","10.0985","0.0008","14.8716","0.0011","17.4835","0.0013","90","","90","","90","","2625.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O5 S -","- C28 H31 N O5 S -","- C112 H124 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","0.71073","MoKα","","0.0364","0.0333","","","0.089","0.093","","","","","","1.043","","","","has coordinates,has disorder","177922","2020-10-21","18:00:00",""
"7154926","6.3758","0.0002","10.5378","0.0004","23.8709","0.0009","90","","90","","90","","1603.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin","Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.","Organic & biomolecular chemistry","2016","14","8","2480","2486","10.1039/c5ob02331a","","","1.54178","CuKα","","0.0537","0.0536","","","0.1553","0.1554","","","","","","1.111","","","","has coordinates","177923","2020-10-21","18:00:00",""
"7154927","10.508","0.0011","35.761","0.004","9.515","0.0016","90","","107.758","0.006","90","","3405.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F Fe N O2 -","- C20 H20 F Fe N O2 -","- C160 H160 F8 Fe8 N8 O16 -","8","2","","Gee, Yi Sing; Goertz, Neils J. M.; Gardiner, Michael G.; Hyland, Christopher J. T.","Oxidative ring-opening of ferrocenylcyclopropylamines to N-ferrocenylmethyl β-hydroxyamides.","Organic & biomolecular chemistry","2016","14","8","2498","2503","10.1039/c5ob02577j","","","0.7108","Synchrotron","","0.077","0.0624","","","0.1389","0.1474","","","","","","1.076","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154928","15.109","0.003","14.423","0.003","17.631","0.004","90","","106.507","0.003","90","","3683.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3g","","- C36 H29 Cl2 N O4 S -","- C36 H29 Cl2 N O4 S -","- C144 H116 Cl8 N4 O16 S4 -","4","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0937","0.0524","","","0.1542","0.1706","","","","","","1.009","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154929","11.3232","0.0012","12.1598","0.0013","12.2434","0.0013","77.456","0.001","86.223","0.001","69.24","0.001","1538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5","","- C34 H35 N O4 S -","- C34 H35 N O4 S -","- C68 H70 N2 O8 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0934","0.0582","","","0.1578","0.1809","","","","","","1.032","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154930","23.7576","0.0014","12.0212","0.0007","21.1978","0.0013","90","","107.987","0.001","90","","5758.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6","","- C34 H33 N O4 S -","- C34 H33 N O4 S -","- C272 H264 N8 O32 S8 -","8","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0614","0.0417","","","0.1095","0.1233","","","","","","1.022","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154931","10.4254","0.0008","10.7238","0.0008","15.1044","0.0011","76.055","0.001","80.857","0.001","63.868","0.001","1468.68","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7","","- C37 H29 N O5 S -","- C37 H29 N O5 S -","- C74 H58 N2 O10 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0789","0.0479","","","0.1335","0.154","","","","","","1.035","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154932","16.478","0.0012","7.1238","0.0005","17.2258","0.0012","90","","101.934","0.004","90","","1978.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bodipy","","","- C21 H26 B F2 N3 O -","- C21 H26 B F2 N3 O -","- C84 H104 B4 F8 N12 O4 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.07","0.0525","","","0.1449","0.1582","","","","","","1.04","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154933","8.515","0.0005","9.7941","0.0006","17.2071","0.001","76.58","0.003","76.491","0.003","75.658","0.004","1328.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Bodipy","","","- C23 H29 B Cl2 F2 I N3 -","- C23 H29 B Cl2 F2 I N3 -","- C46 H58 B2 Cl4 F4 I2 N6 -","2","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.1216","0.0852","","","0.21","0.2288","","","","","","1.091","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154934","6.8808","0.0005","8.3233","0.0006","30.274","0.002","90","","95.36","0.003","90","","1726.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bodipy","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C76 H72 B4 F8 N12 O8 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.0434","0.0405","","","0.1008","0.1023","","","","","","1.133","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154935","10.721","0.0007","20.3638","0.001","12.6324","0.0009","90","","112.71","0.008","90","","2544.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C84 H112 Cl4 F24 N12 P4 Rh4 -","2","0.5","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0642","0.0444","","","0.1067","0.1223","","","","","","1.043","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154936","7.7291","0.0004","15.0891","0.0006","21.358","0.001","90","","90","","90","","2490.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl F6 N4 P Rh -","- C20 H27 Cl F6 N4 P Rh -","- C80 H108 Cl4 F24 N16 P4 Rh4 -","4","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0448","0.0392","","","0.0965","0.1004","","","","","","1.05","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154937","14.8991","0.0004","15.3359","0.0005","22.4136","0.0009","90","","90","","90","","5121.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Cl F6 N4 P Rh -","- C21 H29 Cl F6 N4 P Rh -","- C168 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0653","0.0477","","","0.118","0.1374","","","","","","1.051","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154938","5.6624","0.0004","13.0517","0.0009","15.2377","0.0008","90","","100.888","0.004","90","","1105.85","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.0572","0.0402","","","0.0892","0.0952","","","","","","1.051","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154939","9.4307","0.0006","17.1837","0.0005","11.8533","0.0006","90","","91.937","0.002","90","","1919.78","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.1028","0.0454","","","0.0929","0.116","","","","","","0.963","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154940","10.698","0.0016","12.2896","0.0019","12.851","0.002","86.525","0.003","83.202","0.003","87.556","0.003","1673.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 Cl2 N3 Pd -","- C36 H43 Cl2 N3 Pd -","- C72 H86 Cl4 N6 Pd2 -","2","1","","Liu, Feng; Zhu, Yi-Ran; Song, Lu-Gan; Lu, Jian-Mei","Synthesis of N-heterocyclic carbene-PdCl2-(iso)quinoline complexes and their application in arylamination at low catalyst loadings.","Organic & biomolecular chemistry","2016","14","8","2563","2571","10.1039/c6ob00013d","","","0.71073","MoKα","","0.0413","0.0326","","","0.1085","0.13","","","","","","1.069","","","","has coordinates","177921","2020-10-21","18:00:00",""
"7154941","10.9476","0.0007","11.5394","0.0007","12.4589","0.0008","90.289","0.006","110.381","0.008","105.805","0.007","1410.87","0.18","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C35 H30 O11 -","- C35 H30 O11 -","- C70 H60 O22 -","2","2","","Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic","Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.","Organic & biomolecular chemistry","2016","14","9","2691","2697","10.1039/c5ob02657a","","","1.54187","CuKα","","0.1084","0.0813","","","0.2031","0.2384","","","","","","1.031","","","","has coordinates","177927","2020-10-21","18:00:00",""
"7154942","5.348","0.0011","12.242","0.002","17.786","0.004","90","","93.89","0.03","90","","1161.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1251","0.068","","","0.1693","0.2067","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154943","7.363","0.0015","17.941","0.004","8.568","0.0017","90","","91.5","0.03","90","","1131.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1981","0.0771","","","0.1257","0.1561","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154944","11.137","0.003","20.633","0.005","8.734","0.002","90","","90","","90","","2007","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0853","0.0558","","","0.1346","0.152","","","","","","1.01","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154945","7.1242","0.0017","16.492","0.004","15.175","0.004","90","","92.53","0.003","90","","1781.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0557","0.0414","","","0.1006","0.1116","","","","","","0.95","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154946","12.5755","0.0007","16.641","0.001","17.7068","0.001","90","","90","","90","","3705.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","0.71073","MoKα","","0.0884","0.0516","","","0.0835","0.0956","","","","","","0.928","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154947","12.8516","0.0002","13.959","0.0003","21.1978","0.0004","90","","90","","90","","3802.79","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","1.54184","CuKα","","0.0512","0.0458","","","0.1161","0.1215","","","","","","1.0492","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154948","7.6727","0.0002","8.5813","0.0003","14.3778","0.0006","82.996","0.001","79.762","0.001","67.718","0.002","860.48","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","0.71073","MoKα","","0.0588","0.0491","","","0.1013","0.1078","","","","","","1.066","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154949","13.663","0.0001","7.8244","0.0001","13.7079","0.0001","90","","109.783","0.001","90","","1378.95","0.02","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C56 H48 F12 N4 O16 -","4","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","1.54178","CuKα","","0.0519","0.049","","","0.1358","0.1391","","","","","","1.034","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154950","5.4884","0.0005","11.4294","0.0009","19.5736","0.0016","90","","90","","90","","1227.83","0.18","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0456","0.0391","","","0.0871","0.0906","","","","","","1.007","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154951","7.292","0.002","11.75","0.003","14.698","0.004","90","","90","","90","","1259.3","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0795","0.0608","","","0.1452","0.1569","","","","","","0.982","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154952","8.108","0.003","11.284","0.004","24.513","0.008","90","","90","","90","","2242.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C96 H96 O24 S8 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0887","0.0493","","","0.1029","0.1196","","","","","","1.034","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154953","13.1233","0.0004","14.4337","0.0006","14.5971","0.0005","114.179","0.004","93.853","0.003","114.821","0.004","2191.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 F6 N9 O8 S4 Zn -","- C37 H37 F6 N9 O8 S4 Zn -","- C74 H74 F12 N18 O16 S8 Zn2 -","2","1","","Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long","Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.","Organic & biomolecular chemistry","2016","14","13","3360","3368","10.1039/c6ob00249h","","","1.54184","CuKα","","0.0658","0.0613","","","0.1583","0.1629","","","","","","1.034","","","","has coordinates,has disorder","181778","2020-10-21","18:00:00",""
"7154954","12.586","0.006","13.271","0.007","13.663","0.006","115.299","0.007","95.881","0.004","111.985","0.002","1817","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Perenosin","","","- C16 H17 Cl4 N3 -","- C16 H17 Cl4 N3 -","- C64 H68 Cl16 N12 -","4","2","","Van Rossom, Wim; Asby, Daniel J.; Tavassoli, Ali; Gale, Philip A.","Perenosins: a new class of anion transporter with anti-cancer activity.","Organic & biomolecular chemistry","2016","14","9","2645","2650","10.1039/c6ob00002a","","x-ray","0.71073","MoKα","","0.1176","0.0794","","","0.1633","0.1864","","","","","","1.093","","","","has coordinates","177929","2020-10-21","18:00:00",""
"7154955","5.7205","0.0015","7.824","0.002","9.811","0.003","72.891","0.004","85.142","0.004","74.695","0.004","404.78","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","","Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi","I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement.","Organic & biomolecular chemistry","2016","14","24","5683","5689","10.1039/c5ob02667a","","","0.71073","MoKα","","0.0745","0.0567","","","0.1481","0.1581","","","","","","1.048","","","","has coordinates","183768","2020-10-21","18:00:00",""
"7154956","14.9522","0.0006","14.9522","0.0006","39.844","0.003","90","","90","","90","","8907.9","0.8","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C432 H368 N48 O48 -","16","1","","Feng, Bin-Bin; Lu, Lian; Li, Chao; Wang, Xiang-Shan","Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide.","Organic & biomolecular chemistry","2016","14","9","2774","2779","10.1039/c5ob02620b","","","0.71073","MoKα","","0.0577","0.0404","","","0.1191","0.1438","","","","","","1.089","","","","has coordinates","177925","2020-10-21","18:00:00",""
"7154957","31.53","0.03","4.779","0.005","12.837","0.011","90","","100.97","0.04","90","","1899","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","JF95","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.","Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2016","14","10","2930","2937","10.1039/c5ob02594j","","x-ray","0.71073","MoKα","","0.1306","0.0801","","","0.1848","0.2182","","","","","","1.024","","","","has coordinates","177909","2020-10-21","18:00:00",""
"7154958","11.3159","0.0016","11.3266","0.0014","12.5248","0.0016","94.687","0.004","112.587","0.004","117.05","0.004","1254.2","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O2 S -","- C28 H32 N2 O2 S -","- C56 H64 N4 O4 S2 -","2","1","","Yang, Li-Fang; Liu, Cheng-Guo; Xu, Xiao-Ping; Ji, Shun-Jun","Sulfuration of the C(sp(2))-H bond of enaminones: a protocol for the synthesis of thioether using elemental sulfur as a sulfurating reagent.","Organic & biomolecular chemistry","2016","14","10","2993","2999","10.1039/c5ob02619a","","","0.71073","Mokα","","0.0998","0.0932","","","0.2845","0.2879","","","","","","1.115","","","","has coordinates","177907","2020-10-21","18:00:00",""
"7154959","7.7056","0.0004","10.9002","0.0004","11.0359","0.0004","65.488","0.003","72.568","0.003","72.725","0.003","788.58","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4,5-trimethoxyphenyl)-2-(3,5-dimethylpyrazol-4-yl)ethanol","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Chagarovskiy, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Simple assembly of polysubstituted pyrazoles and isoxazoles via ring closure-ring opening domino reaction of 3-acyl-4,5-dihydrofurans with hydrazines and hydroxylamine.","Organic & biomolecular chemistry","2016","14","10","2905","2915","10.1039/c5ob02596f","","","1.54186","CuKα","","0.0589","0.0526","","","0.1207","0.1249","","","","","","0.96","","","","has coordinates","177911","2020-10-21","18:00:00",""
"7154960","14.7796","0.0008","31.6279","0.0017","11.1541","0.0005","90","","91.878","0.003","90","","5211.2","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.95 H54.95 Cl5.85 Cu N6 -","- C56 H54 Cl3 Cu N6 -","- C224 H216 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1215","0.0948","","","0.2453","0.2624","","","","","","1.025","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154961","21.9885","0.0017","23.74","0.002","23.7797","0.0018","105.241","0.005","95.294","0.005","106.089","0.005","11323.5","1.6","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H59.5 Cl1.5 Cu N8 -","- C61.5 H59.5 Cl1.5 Cu N8 -","- C492 H476 Cl12 Cu8 N64 -","8","4","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1604","0.1213","","","0.3105","0.3412","","","","","","1.016","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154962","12.7135","0.0005","15.8594","0.0006","15.8605","0.0006","115.779","0.002","95.558","0.002","104.159","0.002","2715.49","0.19","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C65.39 H59.56 Cl3 Cu N6 O1.39 -","- C64 H54 Cl3 Cu N6 -","- C128 H108 Cl6 Cu2 N12 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","0.71073","MoKα","","0.0823","0.0577","","","0.157","0.1682","","","","","","1.083","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154963","15.37545","0.00018","14.15367","0.00014","19.476","0.0002","90","","91.4952","0.001","90","","4236.91","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Br4 Cl8 N2 Sb -","- C37 H26 Br4 Cl8 N2 Sb -","- C148 H104 Br16 Cl32 N8 Sb4 -","4","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.031","0.0266","","","0.0628","0.0659","","","","","","1.023","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154964","10.1188","0.0002","13.8839","0.0003","16.4081","0.0005","107.983","0.002","106.75","0.002","96.924","0.002","2043.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Br6 N2 -","- C36 H22 Br6 N2 -","- C72 H44 Br12 N4 -","2","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0371","0.0334","","","0.0931","0.0955","","","","","","1.052","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154965","15.3203","0.0002","15.5925","0.0002","19.8315","0.0003","87.2838","0.0012","81.2554","0.0013","82.7604","0.0012","4643.06","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Br4 N2 -","- C36 H24 Br4 N2 -","- C216 H144 Br24 N12 -","6","3","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0425","0.0369","","","0.0957","0.1009","","","","","","1.014","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154966","19.3483","0.0006","19.3483","0.0006","6.2252","0.0003","90","","90","","120","","2018.22","0.13","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C35 H23 N -","- C35.04 H23.04 N0.96 -","- C105.12 H69.12 N2.88 -","3","0.166667","","Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.","Synthesis and characterization of a highly strained donor-acceptor nanohoop.","Organic & biomolecular chemistry","2016","14","24","5721","5727","10.1039/c6ob00133e","","","1.54178","CuKα","","0.0562","0.0422","","","0.0967","0.1013","","","","","","1.075","","","","has coordinates","183765","2020-10-21","18:00:00",""
"7154967","8.1218","0.0009","11.2172","0.0012","11.2671","0.0012","79.387","0.001","79.478","0.001","84.213","0.001","989.55","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","1","0.5","","Olson, M. A.; Messina, M. S.; Thompson, J. R.; Dawson, T. J.; Goldner, A. N.; Gaspar, D. K.; Vazquez, M.; Lehrman, J. A.; Sue, A. C.-H.","Reversible morphological changes of assembled supramolecular amphiphiles triggered by pH-modulated host-guest interactions.","Organic & biomolecular chemistry","2016","14","24","5714","5720","10.1039/c6ob00109b","","","0.71073","MoKα","","0.0618","0.0547","","","0.1418","0.1489","","","","","","1.028","","","","has coordinates,has disorder","183764","2020-10-21","18:00:00",""
"7154968","9.7463","0.0005","11.9704","0.0005","24.3772","0.0013","90","","90","","90","","2844","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 F N2 O5 -","- C29 H35 F N2 O5 -","- C116 H140 F4 N8 O20 -","4","1","","Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.","Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.","Organic & biomolecular chemistry","2016","14","10","2828","2832","10.1039/c5ob02437d","","","0.71073","MoKα","","0.0534","0.041","","","0.1127","0.1272","","","","","","1.162","","","","has coordinates","177908","2020-10-21","18:00:00",""
"7154969","9.0241","0.0004","9.7102","0.0004","12.2998","0.0005","84.499","0.002","84.789","0.002","74.1251","0.0016","1029.55","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Iminoquinone","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0807","0.0434","","","0.1015","0.1219","","","","","","1.015","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154970","7.9893","0.0003","8.2086","0.0003","11.504","0.0004","106.669","0.0018","104.715","0.0017","96.4618","0.0019","684.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0487","0.0384","","","0.0956","0.1038","","","","","","1.028","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154971","8.0468","0.0007","12.1197","0.001","7.5388","0.0007","90","","91.03","","90","","735.1","0.11","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 Br2 N2 O -","- C16 H10 Br2 N2 O -","- C32 H20 Br4 N4 O2 -","2","1","","Xu, Jun; Zhu, Xiaolei; Zhou, Guobin; Ying, Beibei; Ye, Pingping; Su, Lingying; Shen, Chao; Zhang, Pengfei","Copper(ii)-catalyzed C5 and C7 halogenation of quinolines using sodium halides under mild conditions.","Organic & biomolecular chemistry","2016","14","11","3016","3021","10.1039/c6ob00169f","","","0.71073","MoKα","","0.0607","0.0595","","","0.1538","0.1553","","","","","","1.022","","","","has coordinates,has disorder","181792","2020-10-21","18:00:00",""
"7154972","28.1542","0.0016","8.5012","0.0005","17.4613","0.001","90","","122.609","0.001","90","","3520.5","0.4","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V.","A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives.","Organic & biomolecular chemistry","2016","14","12","3234","3237","10.1039/c5ob02639c","","","0.71073","MoKα","","0.0577","0.0471","","","0.1251","0.1348","","","","","","1.04","","","","has coordinates","181783","2020-10-21","18:00:00",""
"7154973","8.3369","0.0004","20.8048","0.001","8.5721","0.0004","90","","112.222","0.003","90","","1376.38","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 N2 O5 Pd S -","- C27 H30 Br2 N2 O5 Pd S -","- C54 H60 Br4 N4 O10 Pd2 S2 -","2","1","","Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.","Organic & biomolecular chemistry","2016","14","11","3159","3169","10.1039/c6ob00107f","","","0.71073","MoKα","","0.0308","0.0262","","","0.0574","0.0592","","","","","","1.025","","","","has coordinates,has disorder","181790","2020-10-21","18:00:00",""
"7154974","18.5248","0.0015","15.2275","0.0012","18.9615","0.0016","90","","94.102","0.004","90","","5335.1","0.8","123","","123","","","","","","","","Pascal Schmidt","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 B N O3 -","- C14 H14 B N O3 -","- C224 H224 B16 N16 O48 -","16","2","","Stress, Cedric J.; Schmidt, Pascal J.; Gillingham, Dennis G.","Comparison of boron-assisted oxime and hydrazone formations leads to the discovery of a fluorogenic variant.","Organic & biomolecular chemistry","2016","14","24","5529","5533","10.1039/c6ob00168h","","","1.54178","CuKα","","0.0402","0.0386","","0.0884","0.088","0.0884","","","","","","0.8971","","","","has coordinates","183769","2020-10-21","18:00:00",""
"7154975","9.71","0.003","19.2","0.005","22.065","0.006","90","","97.104","0.004","90","","4082","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2,3-diphenyl-N-tosylbut-2-enamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.1116","0.087","","","0.1337","0.1429","","","","","","1.197","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154976","9.3077","0.0019","11.58","0.002","11.683","0.002","116.41","0.03","100.5","0.03","90.85","0.03","1102.3","0.5","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(naphthalen-2-yl)-N-tosylhept-2-enamide","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.0809","0.0627","","","0.1408","0.152","","","","","","1.129","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154977","9.5857","0.0004","10.48","0.0005","16.9107","0.0008","90","","100.401","0.0012","90","","1670.9","0.13","100","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R,3R)-dimethyl 2-cyano-3-phenyl-2-(pyridin-4-yl)cyclopropane-1,1-dicarboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Del Fiandra, Claudia; Moccia, Maria; Adamo, Mauro F. A.","Enantioselective cyclopropanation of (Z)-3-substituted-2-(4-pyridyl)-acrylonitriles catalyzed by Cinchona ammonium salts.","Organic & biomolecular chemistry","2016","14","11","3105","3111","10.1039/c6ob00154h","","","0.71073","MoKα","","0.0365","0.0327","","","0.092","0.0961","","","","","","1.051","","","","has coordinates","181791","2020-10-21","18:00:00",""
"7154978","14.19","0.03","16.5","0.03","7.736","0.015","90","","101.18","0.03","90","","1777","6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-hydroxy-2-phenylcyclohexyloxy)isoindoline-1,3-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Iron(iii)-catalyzed aerobic dioxygenation of styrenes using N-hydroxyphthalimide and N-hydroxybenzotriazole.","Organic & biomolecular chemistry","2016","14","12","3246","3255","10.1039/c6ob00210b","","","0.71073","MoKα","","0.0642","0.0449","","","0.1044","0.1269","","","","","","1.045","","","","has coordinates","181787","2020-10-21","18:00:00",""
"7154979","9.0807","0.0003","9.0807","0.0003","33.7042","0.0011","90","","90","","120","","2406.87","0.14","100","2","100","2","","","","","","","","4","P 61","P 61","169","","3 R ,4 R )-Methyl 1-oxo-3-phenyl-3-(trifluoromethyl)isochrom an-4-carboxylate","","- C18 H13 F3 O4 -","- C18 H13 F3 O4 -","- C108 H78 F18 O24 -","6","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0228","0.0228","","","0.0674","0.0674","","","","","","1.463","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154980","8.5357","0.0003","12.3308","0.0004","14.9954","0.0005","90","","90","","90","","1578.3","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3 S ,4 R )-3-(Ethoxycarbonyl)-1-oxo-3-(thiophen-2-yl)isochro mane-4-carboxylic acid","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C68 H56 O24 S4 -","4","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.056","0.055","","","0.1582","0.1591","","","","","","1.12","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154981","8.2334","0.0004","12.873","0.0006","11.1784","0.0005","90","","107.114","0.002","90","","1132.32","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2 R ,3 S )-Methyl 1'-benzyl-3-(4-nitrophenyl)-2',5-dioxo-4,5 -dihydro-3H-spiro[furan-2,3'- indoline]-3-carboxylate","","- C26 H20 N2 O7 -","- C26 H20 N2 O7 -","- C52 H40 N4 O14 -","2","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0544","0.0376","","","0.0644","0.0653","","","","","","1.899","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154982","11.1283","0.0003","29.5193","0.0007","7.79325","0.00019","90","","108.307","0.0017","90","","2430.51","0.11","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rocaglamide 23c","","- C25 H21 Br O8 S -","- C25 H21 Br O8 S -","- C100 H84 Br4 O32 S4 -","4","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.121","","","","0.3993","","","","","","1.014","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154983","9.8131","0.0003","20.4457","0.0005","21.4","0.0006","90","","90","","90","","4293.6","0.2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rocaglamide 22a","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C200 H192 O56 S8 -","8","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54178","CuKα","","0.0404","0.0374","","","0.0999","0.103","","","","","","1.035","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154984","9.7833","0.0003","10.5843","0.0004","14.6153","0.0005","74.063","0.002","80.51","0.002","63.2837","0.0018","1298.37","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br Cl3 O8 -","- C25 H22 Br Cl3 O8 -","- C50 H44 Br2 Cl6 O16 -","2","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.0547","","","","0.149","","","","","","1.137","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154985","5.9219","0.0003","7.4968","0.0003","31.318","0.0019","94.271","0.004","91.188","0.004","90.053","0.003","1386.21","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 B N -","- C19 H16 B N -","- C76 H64 B4 N4 -","4","2","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0917","0.0729","","","0.2349","0.2466","","","","","","1.098","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154986","7.5827","0.0003","5.8864","0.0003","14.3622","0.0007","90","","93.408","0.004","90","","639.92","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 B N -","- C18 H14 B N -","- C36 H28 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0355","0.0343","","","0.0941","0.0957","","","","","","1.045","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154987","7.5086","0.0003","5.9024","0.0003","29.5225","0.0017","90","","93.266","0.005","90","","1306.28","0.11","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F N -","- C18 H13 B F N -","- C72 H52 B4 F4 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0553","0.0503","","","0.1386","0.1428","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154988","7.54619","0.00013","5.86945","0.00011","32.5219","0.0005","90","","94.2129","0.0015","90","","1436.57","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F3 N -","- C19 H13 B F3 N -","- C76 H52 B4 F12 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0428","0.0388","","","0.1053","0.1089","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154989","7.44538","0.00009","7.11221","0.00008","15.95865","0.00019","90","","94.8062","0.0011","90","","842.089","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0303","0.0296","","","0.0805","0.0811","","","","","","1.042","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154990","7.5423","0.0002","5.9013","0.0002","28.5913","0.0009","90","","94.099","0.003","90","","1269.33","0.07","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0653","0.0616","","","0.1499","0.1518","","","","","","1.16","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154991","10.2816","0.0003","10.436","0.0003","15.0467","0.0005","90","","90","","90","","1614.49","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei","Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.","Organic & biomolecular chemistry","2016","14","24","5751","5754","10.1039/c6ob00125d","","x-ray","1.54184","CuKα","","0.0585","0.057","","","0.1486","0.1503","","","","","","1","","","","has coordinates,has disorder","183758","2020-10-21","18:00:00",""
"7154992","12.2059","0.0008","9.9555","0.0006","16.3557","0.0011","90","","95.472","0.002","90","","1978.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","WYC011632","","- C21 H18 Br F3 O4 -","- C21 H18 Br F3 O4 -","- C84 H72 Br4 F12 O16 -","4","1","","Wong, Ying-Chieh; Yeung, Ying-Yeung","A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters.","Organic & biomolecular chemistry","2016","14","12","3202","3206","10.1039/c6ob00311g","","","0.71073","MoKα","","0.0313","0.0282","","","0.0716","0.0735","","","","","","1.034","","","","has coordinates,has disorder","181784","2020-10-21","18:00:00",""
"7154993","7.5445","0.0007","14.1434","0.0015","14.8389","0.0015","90","","100.417","0.004","90","","1557.3","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amit","","- C15 H15 I N4 -","- C15 H15 I N4 -","- C60 H60 I4 N16 -","4","1","","Pawar, Amit B.; Lade, Dhanaji M.","Cobalt(iii)-catalyzed C-H halogenation of 6-arylpurines: facile entry into arylated, sulfenylated and alkoxylated 6-arylpurines.","Organic & biomolecular chemistry","2016","14","12","3275","3283","10.1039/c5ob02640g","","x-ray","0.71073","MoKα","","0.0384","0.0354","","","0.0926","0.0943","","","","","","1.065","","","","has coordinates","181785","2020-10-21","18:00:00",""
"7154994","11.7084","0.0004","14.1127","0.0006","15.5928","0.0006","90.096","0.003","95.408","0.003","91.971","0.003","2563.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS*,5R*,5aR*,8R*,8aR*,8bR*)-5,5a-dihydroxy-2,5-diphenyl-3a,4,5,5a,6,7,8a,8b-octahydro-8-(2',2',2'-trichloromethylcarbonylamino)cyclopent[e]isoindole-1,3(2H,3aH)-dione","","- C26 H27 Cl3 N2 O6 -","- C26 H27 Cl3 N2 O6 -","- C104 H108 Cl12 N8 O24 -","4","2","","Mostafa, Mohamed A. B.; Grafton, Mark W.; Wilson, Claire; Sutherland, Andrew","A one-pot, three-step process for the diastereoselective synthesis of aminobicyclo[4.3.0]nonanes using consecutive palladium(ii)- and ruthenium(ii)-catalysis.","Organic & biomolecular chemistry","2016","14","12","3284","3297","10.1039/c6ob00165c","","x-ray","0.71073","MoKα","","0.0864","0.0539","","","0.1208","0.1355","","","","","","1.013","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7154995","8.2474","0.0005","11.1326","0.0007","18.0136","0.0011","90","","90","","90","","1653.92","0.18","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Luridiana, Alberto; Frongia, Angelo; Aitken, David J.; Guillot, Regis; Sarais, Giorgia; Secci, Francesco","Deracemizing organocatalyzed Michael addition reactions of 2-(arylthio)cyclobutanones with β-nitrostyrenes.","Organic & biomolecular chemistry","2016","14","13","3394","3403","10.1039/c6ob00160b","","x-ray","0.71073","MoKα","","0.0328","0.029","","","0.0776","0.0797","","","","","","1.075","","","","has coordinates","181781","2020-10-21","18:00:00",""
"7154996","12.3871","0.0001","10.734","0.0001","12.8666","0.0001","90","","103.68","","90","","1662.25","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0375","0.0368","","","0.0991","0.1004","","","","","","0.947","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154997","9.7007","0.0002","6.2228","0.0001","13.9225","0.0003","90","","101.87","0.001","90","","822.47","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0851","0.0836","","","0.2171","0.219","","","","","","1.104","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154998","11.9342","0.0011","12.3874","0.0011","13.3401","0.0013","106.111","0.005","92.693","0.005","95.261","0.006","1881.3","0.3","130","","130","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","4","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0838","0.0662","","","0.177","0.203","","","","","","1.012","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154999","8.6713","0.0017","9.4094","0.0019","11.261","0.002","104.56","0.03","93.63","0.03","110.49","0.03","821.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C32 H30 N2 O6 S4 -","2","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2005","","","","","","1.073","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155000","14.818","0.003","10.636","0.002","15.416","0.003","90","","113.84","0.03","90","","2222.3","0.9","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.1252","0.0765","","","0.175","0.2036","","","","","","1.082","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155001","13.9018","0.0004","17.531","0.0004","9.7328","0.0002","90","","90","","90","","2372","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","1.54184","CuKα","","0.0343","0.0307","","","0.0766","0.0797","","","","","","1.05","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155002","9.3775","0.0007","11.0241","0.0008","9.5231","0.0006","90","","110.422","0.004","90","","922.61","0.11","","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","pyrido[1,2,a]indole","(4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas","Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5569","5573","10.1039/c6ob00360e","","","0.71073","MoKα","","0.0639","0.0603","","","0.1746","0.1797","","","","","","1.1402","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7155003","10.1488","0.0005","17.0478","0.0004","12.052","0.0004","90","","113.032","0.005","90","","1918.96","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline","","- C24 H20 Br N3 -","- C24 H20 Br N3 -","- C96 H80 Br4 N12 -","4","1","","Shinde, Anand H.; Vidyacharan, Shinde; Sharada, Duddu S.","BF3·OEt2 mediated metal-free one-pot sequential multiple annulation cascade (SMAC) synthesis of complex and diverse tetrahydroisoquinoline fused hybrid molecules.","Organic & biomolecular chemistry","2016","14","12","3207","3211","10.1039/c6ob00253f","","","1.5418","CuKα","","0.066179","0.05177","","","","0.15219","","","","","","1.04853","","","","has coordinates","181786","2020-10-21","18:00:00",""
"7155004","12.282","0.003","8.937","0.0018","22.179","0.004","90","","92.6","0.03","90","","2432","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C112 H104 N4 O16 P4 -","4","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0712","0.0573","","","0.1269","0.1337","","","","","","1.156","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155005","10.479","0.0009","10.8907","0.0009","12.8985","0.0009","68.115","0.007","68.507","0.007","89.099","0.007","1258.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N O4 P -","- C29 H28 N O4 P -","- C58 H56 N2 O8 P2 -","2","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","1.54184","CuKα","","0.054","0.0463","","","0.1279","0.1358","","","","","","1.045","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155006","17.859","0.0016","5.8124","0.0004","21.742","0.002","90","","106.101","0.01","90","","2168.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.054","0.0409","","","0.1042","0.1139","","","","","","1.044","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155007","17.482","0.004","5.9043","0.0013","23.251","0.005","90","","100.505","0.003","90","","2359.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C120 H80 Cl8 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0551","0.0479","","","0.1212","0.1272","","","","","","1.068","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155008","9.6939","0.0019","21.405","0.004","27.668","0.006","90","","80.83","0.03","90","","5668","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl N O2 P -","- C35 H25 Cl N O2 P -","- C280 H200 Cl8 N8 O16 P8 -","8","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1643","0.1094","","","0.2299","0.2583","","","","","","1.117","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155009","10.626","0.002","11.358","0.002","21.635","0.004","104.76","0.03","91.46","0.03","90.01","0.03","2524.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl N O3 S -","- C30 H22 Cl N O3 S -","- C120 H88 Cl4 N4 O12 S4 -","4","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0877","0.0836","","","0.2468","0.2541","","","","","","1.108","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155010","34.28","0.003","17.6184","0.0013","25.486","0.004","90","","131.387","0.003","90","","11548","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N O6 P S -","- C29 H32 N O6 P S -","- C464 H512 N16 O96 P16 S16 -","16","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1113","0.0616","","","0.1583","0.1801","","","","","","1.058","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155011","10.1831","0.0002","17.6304","0.0004","18.6382","0.0005","90","","92.2453","0.0011","90","","3343.59","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Benzimidazoindoloindolol","","- C35 H28 Cl3 N3 O5 S2 -","- C35 H28 Cl3 N3 O5 S2 -","- C140 H112 Cl12 N12 O20 S8 -","4","1","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0715","0.0495","","","0.133","0.1514","","","","","","1.023","","","","has coordinates","177604","2020-10-21","18:00:00",""
"7155012","4.6985","0.0007","9.6719","0.0014","9.8461","0.0014","111.248","0.002","92.409","0.002","91.899","0.002","416.09","0.1","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.0387","0.0346","","","0.0888","0.0915","","","","","","1.047","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155013","6.6155","0.0011","7.022","0.0012","9.6435","0.0017","82.132","0.003","76.879","0.003","71.863","0.003","413.54","0.12","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1415","0.1483","","","","","","1.07","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155014","8.1761","0.0005","11.9692","0.0007","15.1398","0.0009","90","","96.343","0.001","90","","1472.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii)-catalyzed synthesis of aroylbenzo[b]oxepin-3-ones from ortho-O-propargyl-1-one substituted arylaldehydes.","Organic & biomolecular chemistry","2016","14","14","3526","3535","10.1039/c5ob02676h","","","0.71073","MoKα","","0.06","0.0527","","","0.1496","0.1574","","","","","","1.036","","","","has coordinates","181800","2020-10-21","18:00:00",""
"7155015","10.2113","0.0008","10.8594","0.0009","15.4503","0.0012","90","","102.946","0.001","90","","1669.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 2-(4-chlorophenyl)-4-fluoro-5-hydroxypiperidine-1-carboxylate","","- C16 H21 Cl F N O3 -","- C16 H21 Cl F N O3 -","- C64 H84 Cl4 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.0546","0.0437","","","0.1186","0.1307","","","","","","1.039","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155016","10.0718","0.0018","10.9443","0.0019","15.782","0.003","90","","102.965","0.002","90","","1695.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 4-fluoro-5-hydroxy-2-(p-tolyl)piperidine-1-carboxylate","","- C17 H24 F N O3 -","- C17 H24 F N O3 -","- C68 H96 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.066","0.0456","","","0.1169","0.1301","","","","","","1.028","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155017","8.7967","0.0004","9.2428","0.0004","17.2636","0.0008","90","","90","","90","","1403.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Z)-3-(4-fluorophenyl)-2-(hydroxyimino)-3-(trifluoromethyl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one","","- C15 H11 F4 N O3 -","- C15 H11 F4 N O3 -","- C60 H44 F16 N4 O12 -","4","1","","Liu, Wei; Lai, Xiaoyan; Zha, Gaofeng; Xu, Yan; Sun, Panpan; Xia, Tao; Shen, Yongcun","The squaramide-catalyzed asymmetric Michael/cyclization tandem reaction for the synthesis of chiral trifluoromethylated hydroxyimino tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2016","14","14","3603","3607","10.1039/c6ob00119j","","","1.54178","CuKα","","0.0439","0.037","","","0.0872","0.0924","","","","","","1.075","","","","has coordinates","181798","2020-10-21","18:00:00",""
"7155018","7.4773","0.001","8.2931","0.0011","20.419","0.003","90","","90","","90","","1266.2","0.3","298","2","298","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Compound 10","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C44 H52 N20 O16 -","4","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.0409","0.0376","","","0.1079","0.1122","","","","","","1.058","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155019","5.9412","0.0001","5.9412","0.0001","60.104","0.0009","90","","90","","90","","2121.54","0.06","100","2","100","2","","","","","","","synthesis","5","P 43 21 2","P 4nw 2abw","96","","1R,3S-albucidin","","- C9 H3 D10 N5 O3 -","- C9 H3 D10 N5 O3 -","- C72 H24 D80 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0839","0.0839","","","","","","0.581","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155020","5.9872","0.0009","5.9872","0.0009","60.571","0.009","90","","90","","90","","2171.3","0.6","296","2","296","2","","","","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","1S,3R-albucidin","","- C9 H11 D2 N5 O3 -","- C9 H11 D2 N5 O3 -","- C72 H88 D16 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.082","0.0814","","","0.1836","0.1839","","","","","","1.194","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155021","16.925","0.0003","17.9908","0.0005","10.9836","0.0004","90","","106.315","0.003","90","","3209.77","0.17","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-dicyano-1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene]-2,3-dicarboxylate","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C136 H80 N16 O48 -","8","2","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","1.54186","CuKα","","0.0739","0.0568","","","0.1386","0.1465","","","","","","0.911","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155022","25.935","0.004","7.888","0.002","18.793","0.004","90","","108.37","0.03","90","","3648.7","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide","","- C36 H22 N8 O6 Rb2 -","- C36 H22 N8 O6 Rb2 -","- C144 H88 N32 O24 Rb8 -","4","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1279","0.0568","","","0.0779","0.0956","","","","","","0.923","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155023","14.498","0.005","13.886","0.004","18.696","0.004","90","","90","","90","","3763.9","1.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide","","- C18 H13 K N2 O7 -","- C18 H13 K N2 O7 -","- C144 H104 K8 N16 O56 -","8","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1007","0.0552","","","0.1152","0.132","","","","","","1.039","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155024","11.4992","0.0008","13.2277","0.0006","20.0327","0.001","80.075","0.004","80.054","0.005","76.358","0.005","2889","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 F6 N11 O5 -","- C69 H48 F6 N11 O5 -","- C138 H96 F12 N22 O10 -","2","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.151","0.0783","","","0.1802","0.2479","","","","","","0.974","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155025","6.6629","0.0007","25.004","0.003","14.956","0.002","90","","97.81","0.012","90","","2468.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl F3 N5 O3 -","- C28 H23 Cl F3 N5 O3 -","- C112 H92 Cl4 F12 N20 O12 -","4","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.1083","0.0558","","","0.0889","0.0968","","","","","","0.839","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155026","5.0171","0.0014","8.347","0.002","10.439","0.003","101.211","0.005","102.192","0.007","91.033","0.008","418.4","0.2","233","","233","","","","","","","","","6","P 1","P 1","1","","","","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","1","1","","Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi","Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.","Organic & biomolecular chemistry","2016","14","14","3501","3505","10.1039/c6ob00449k","","","0.71075","MoKα","","","0.0242","","","","0.0288","","","","","","0.818","","","","has coordinates","181797","2020-10-21","18:00:00",""
"7155027","8.4009","0.0004","10.4848","0.0004","11.8979","0.0005","94.791","0.001","103.025","0.001","108.548","0.001","954.23","0.07","298","2","298","2","","","","","","","Synthetic","4","P -1","-P 1","2","Formil isoplicamine","Formil isoplicamine","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C42 H44 N4 O10 -","2","1","","Mijangos, Marco V.; Miranda, Luis D.","Multicomponent access to indolo[3,3a-c]isoquinolin-3,6-diones: formal synthesis of (±)-plicamine.","Organic & biomolecular chemistry","2016","14","15","3677","3680","10.1039/c6ob00231e","","","0.71073","MoKα","","0.0609","0.0406","","","0.0955","0.1061","","","","","","1.03","","","","has coordinates","182779","2020-10-21","18:00:00",""
"7155028","18.0189","0.0003","13.8383","0.0003","19.9173","0.0004","90","","93.1629","0.0016","90","","4958.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-((1-(4-aminophenyl)ethoxy)(tert-butyl)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H39 N2 O4 P -","- C21 H39 N2 O4 P -","- C168 H312 N16 O32 P8 -","8","2","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0801","0.0641","","","0.1787","0.1972","","","","","","1.042","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155029","8.62323","0.00015","9.53739","0.00016","31.7545","0.0006","90","","90.2784","0.0017","90","","2611.56","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-((tert-butyl(1-(diethoxyphosphoryl)-2,2-dimethylpropyl)amino)oxy)ethyl)benzoate","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C92 H160 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0813","0.0533","","","0.147","0.1558","","","","","","1.14","","","","has coordinates,has disorder","181799","2020-10-21","18:00:00",""
"7155030","9.0712","0.0003","10.2972","0.0003","13.5576","0.0003","75.983","0.002","80.691","0.002","78.803","0.002","1196.5","0.06","293","","293","","","","","","","","","6","P -1","-P 1","2","","Diethyl (1-(tert-butyl(1-(4-fluorophenyl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H37 F N O4 P -","- C21 H37 F N O4 P -","- C42 H74 F2 N2 O8 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0586","0.0495","","","0.1482","0.1589","","","","","","1.059","","","","has coordinates","181799","2020-10-21","18:00:00",""
"7155031","8.0511","0.001","13.583","0.016","9.587","0.011","90","","109.73","0.019","90","","986.9","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 N O S -","- C25 H20 N O S -","- C50 H40 N2 O2 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.","Stereoselective synthesis of thiazino[4,3-a]indoles using the thia-Pictet-Spengler reaction of indoles bearing N-tethered thiols and vinylogous thiocarbonates.","Organic & biomolecular chemistry","2016","14","24","5586","5590","10.1039/c6ob00501b","","","0.71075","MoKα","","0.0952","0.0867","","","0.2299","0.2389","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155032","9.7915","0.0007","10.0496","0.0006","33.148","0.002","90","","90","","90","","3261.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 Rh -","- C31 H32 N O3 Rh -","- C124 H128 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0499","0.0419","","","0.0963","0.1004","","","","","","1.021","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155033","10.8993","0.0007","13.2135","0.0008","21.2588","0.0013","90","","90","","90","","3061.6","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 Rh -","- C37 H36 N O3 Rh -","- C148 H144 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0347","0.03","","","0.0607","0.0626","","","","","","1.018","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155034","15.2591","0.0005","7.75811","0.00018","16.2453","0.0004","90","","105.972","0.003","90","","1848.91","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 -","- C23 H20 N4 -","- C92 H80 N16 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0494","0.0432","","","0.1163","0.1237","","","","","","1.03","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155035","12.4993","0.0004","12.6093","0.0005","13.1403","0.0005","102.843","0.003","90.295","0.003","94.809","0.003","2011.49","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","2","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0792","0.066","","","0.1803","0.2018","","","","","","1.044","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155036","11.1295","0.0008","11.4081","0.001","12.1912","0.0009","90","","90","","90","","1547.9","0.2","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.0578","0.0417","","","0.0987","0.1038","","","","","","1.011","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155037","10.3826","0.0008","13.1881","0.0011","11.3683","0.0012","90","","105.41","0.01","90","","1500.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.1159","0.0641","","","0.1771","0.2021","","","","","","1.056","","","","has coordinates,has disorder","182781","2020-10-21","18:00:00",""
"7155038","16.652","0.002","6.8992","0.0009","18.61","0.003","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C80 H120 N24 O24 -","8","1","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0659","0.0391","","","0.0841","0.0911","","","","","","0.926","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155039","7.6207","0.0007","12.3266","0.0012","11.1367","0.0011","90","","101.726","0.002","90","","1024.32","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O2 -","- C10 H13 N3 O2 -","- C40 H52 N12 O8 -","4","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0407","0.035","","","0.0883","0.0902","","","","","","1.004","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155040","27.5444","0.0014","4.0773","0.0004","26.9996","0.0014","90","","90","","90","","3032.2","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 Br N3 O4 -","- C15 H16 Br N3 O4 -","- C120 H128 Br8 N24 O32 -","8","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.6889","synchrotron","","0.0716","0.0638","","","0.152","0.158","","","","","","1.076","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155041","8.0842","0.0005","12.4461","0.0008","16.7654","0.0009","90","","90","","90","","1686.88","0.18","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Al Br O2 S -","- C15 H16 Al Br O2 S -","- C60 H64 Al4 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0599","0.0381","","","0.1043","0.1249","","","","","","0.827","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155042","8.2836","0.0009","10.3728","0.0011","19.708","0.003","90","","91.303","0.012","90","","1693","0.4","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 S -","- C18 H22 O3 S -","- C72 H88 O12 S4 -","4","2","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.1001","0.0801","","","0.199","0.2265","","","","","","1.072","","","","has coordinates,has disorder","183753","2020-10-21","18:00:00",""
"7155043","10.664","0.0007","9.233","0.0006","11.347","0.0007","90","","96.158","0.006","90","","1110.79","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0529","0.042","","","0.093","0.1015","","","","","","1.045","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155044","9.1301","0.0004","10.89","0.0006","13.3698","0.0009","90","","90","","90","","1329.32","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C52 H44 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0468","0.0334","","","0.0677","0.0737","","","","","","1.028","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155045","13.303","0.0011","10.8154","0.001","10.2401","0.0011","90","","109.676","0.011","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H30 O6 S2 -","- C30 H30 O6 S2 -","- C60 H60 O12 S4 -","2","0.5","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0943","0.1005","","","","","","1.046","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155046","9.8624","0.0006","8.7885","0.0005","10.6755","0.0006","90","","102.966","0.005","90","","901.71","0.09","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14S,15R)-14-deoxyoxacyclododecindione","","- C18 H23 Cl O6 -","- C18 H23 Cl O6 -","- C36 H46 Cl2 O12 -","2","1","","Tauber, Johannes; Rohr, Markus; Walter, Thorsten; Schollmeyer, Dieter; Rahn-Hotze, Karin; Erkel, Gerhard; Opatz, Till","A surprising switch in absolute configuration of anti-inflammatory macrolactones.","Organic & biomolecular chemistry","2016","14","15","3695","3698","10.1039/c6ob00430j","","","0.71073","MoKα","","0.069","0.0449","","","0.1022","0.126","","","","","","1.092","","","","has coordinates","182782","2020-10-21","18:00:00",""
"7155047","12.332","0.003","12.412","0.003","21.736","0.004","90.58","0.03","95.38","0.03","90","0.03","3312.2","1.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H50 N4 O7 -","- C32 H50 N4 O7 -","- C128 H200 N16 O28 -","4","4","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.1339","0.1216","","","0.3687","0.3761","","","","","","1.506","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155048","11.493","0.002","17.104","0.003","18.432","0.004","90","","103.96","0.03","90","","3516.3","1.2","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N4 O9 -","- C32 H52 N4 O9 -","- C128 H208 N16 O36 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0576","0.0527","","","0.1268","0.1299","","","","","","0.943","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155049","20.9","0.004","12.965","0.003","23.973","0.005","90","","100.04","0.03","90","","6396","2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H104 N8 O14 -","- C58 H104 N8 O14 -","- C232 H416 N32 O56 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0645","0.0632","","","0.1738","0.1757","","","","","","1.023","","","","has coordinates,has disorder","182790","2020-10-21","18:00:00",""
"7155050","10.846","0.0013","11.5153","0.0015","14.8533","0.0018","90","","90","","90","","1855.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C76 H76 N4 O8 S8 -","4","1","","Wu, Shanchao; Li, Yu; Zhang, Yongqiang; Fang, Kun; Dong, Guoqiang; Liu, Na; Miao, Zhenyuan; Yao, Jianzhong; Wang, Wei; Zhang, Wannian; Sheng, Chunquan","Enantioselective organocatalytic Michael addition of isorhodanines to α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2016","14","16","3926","3933","10.1039/c5ob02457a","","","0.71073","MoKα","","0.0775","0.0395","","","0.1071","0.1408","","","","","","0.75","","","","has coordinates","182786","2020-10-21","18:00:00",""
"7155051","5.1957","0.0004","12.039","0.0009","12.8927","0.001","112.826","0.002","90.743","0.002","102.195","0.002","722.48","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C28 H36 N4 O12 -","2","1","","Naumovich, Yana A.; Buckland, Victoria Emily; Sen'ko, Dmitry A.; Nelyubina, Yulia V.; Khoroshutina, Yulia A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Metal-assisted addition of a nitrate anion to bis(oxy)enamines. A general approach to the synthesis of α-nitroxy-oxime derivatives from nitronates.","Organic & biomolecular chemistry","2016","14","16","3963","3974","10.1039/c6ob00388e","","","0.71073","MoKα","","0.0609","0.0442","","","0.1313","0.1493","","","","","","1.009","","","","has coordinates","182788","2020-10-21","18:00:00",""
"7155052","13.301","0.003","13.892","0.004","6.7933","0.0016","90","","90","","90","","1255.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0465","0.0363","","","0.0794","0.0825","","","","","","0.918","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155053","8.431","0.002","12.486","0.003","10.251","0.003","90","","90.558","0.005","90","","1079.1","0.5","293","","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0499","0.041","","","0.0925","0.0957","","","","","","0.948","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155054","10.596","0.0008","13.0323","0.001","15.0398","0.0011","89.548","0.002","69.846","0.002","82.38","0.002","1930.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br Cl N2 O -","- C20 H20 Br Cl N2 O -","- C80 H80 Br4 Cl4 N8 O4 -","4","2","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.0766","0.0487","","","0.1136","0.1247","","","","","","1.001","","","","has coordinates,has disorder","182777","2020-10-21","18:00:00",""
"7155055","6.684","0.002","11.847","0.004","22.594","0.007","90","","90","","90","","1789.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C80 H76 Cl4 N8 O4 -","4","1","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.1784","0.0608","","","0.1131","0.1498","","","","","","1","","","","has coordinates","182777","2020-10-21","18:00:00",""
"7155056","10.928","0.0018","11.778","0.0019","13.075","0.002","87.909","0.003","87.569","0.003","77.316","0.002","1639.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H29 F6 N3 O3 -","- C36.5 H29 F6 N3 O3 -","- C73 H58 F12 N6 O6 -","2","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.0755","0.061","","","0.1636","0.1798","","","","","","1.041","","","","has coordinates,has disorder","182787","2020-10-21","18:00:00",""
"7155057","7.3173","0.0002","15.5645","0.0004","13.0802","0.0003","90","","90","","90","","1489.71","0.07","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.03","0.0294","","","0.0788","0.0795","","","","","","1.058","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155058","12.5059","0.001","32.64","0.002","9.2776","0.0006","90","","93.765","0.007","90","","3778.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","x-ray","1.54184","CuKα","","0.1334","0.0919","","","0.1916","0.2091","","","","","","1.135","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155059","7.46841","0.00017","5.90109","0.00011","32.1078","0.001","90","","91.971","0.003","90","","1414.21","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B N2 -","- C19 H13 B N2 -","- C76 H52 B4 N8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0554","0.0516","","","0.1498","0.1526","","","","","","1.09","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155060","7.35557","0.00013","5.95525","0.00011","31.4266","0.0006","90","","90.5796","0.0017","90","","1376.55","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B N2 O2 -","- C18 H13 B N2 O2 -","- C72 H52 B4 N8 O8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0446","0.0404","","","0.1092","0.1138","","","","","","1.035","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155061","5.7178","0.0003","10.4187","0.0005","24.9522","0.0011","90","","90","","90","","1486.45","0.12","298","2","298","2","","","","","","","NA","4","P 21 21 21","P 2ac 2ab","19","NA","Benzimidazole nucleosides","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0742","0.058","","","0.1795","0.2029","","","","","","1.22","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155062","13.7554","0.0004","18.6455","0.0005","5.3891","0.0001","90","","90","","90","","1382.18","0.06","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","NA","Bicyclic benzimidazole nucleoside","","- C14 H13 Cl N2 O3 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0487","0.0388","","","0.1111","0.1328","","","","","","1.08","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155063","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,3-dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl) -1-oxo-1,2-dihydronapthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0545","0.0415","","","0.1209","0.1328","","","","","","1.098","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155064","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-oxo-3-phenyl-1-(thiophen-2-yl)-3-(thiophen-3-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.1019","0.0608","","","0.1233","0.1475","","","","","","1.093","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155065","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dimethyl 1-oxo-2(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0611","0.0387","","","0.0888","0.1022","","","","","","1.037","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155066","16.2811","0.0009","10.0247","0.0005","15.504","0.0009","90","","111.902","0.002","90","","2347.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-dimethyl4-(naphthalen-1-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H22 O5 -","- C30 H22 O5 -","- C120 H88 O20 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0522","0.039","","","0.107","0.1192","","","","","","1.036","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155067","7.4725","0.0004","12.9073","0.0007","14.9503","0.0008","105.607","0.002","103.985","0.004","100.951","0.005","1296.5","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-dimethyl4-(5-hexylthiophen-2-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H30 O5 S -","- C30 H30 O5 S -","- C60 H60 O10 S2 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0552","0.0398","","","0.1208","0.1409","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7155068","8.2596","0.0012","8.9504","0.0013","10.0044","0.0015","75.628","0.013","72.518","0.013","85.932","0.012","683.35","0.18","140","","140","","","","","","","","","4","P -1","-P 1","2","dimethyl quinoxaline dicarboxylate","Dimethyl 5,8-dimethylquinoxaline-2,3-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Sagar, A.; Vidaycharan, Shinde; Shinde, Anand H.; Sharada, Duddu S.","Hypervalent iodine(iii)-promoted N-incorporation into N-aryl vinylogous carbamates to quinoxaline diesters: access to 1,4,5,8-tetraazaphenanthrene.","Organic & biomolecular chemistry","2016","14","17","4018","4022","10.1039/c6ob00447d","","","1.54184","CuKα","","0.0977","0.063","","","0.178","0.2209","","","","","","1.1126","","","","has coordinates","182792","2020-10-21","18:00:00",""
"7155069","28.78","0.03","6.621","0.007","15.245","0.018","90","","106.775","0.015","90","","2781","5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7a-methyl-2-phenyl-2-(trifluoromethyl)-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one","","- C15 H13 F3 O3 -","- C15 H13 F3 O3 -","- C120 H104 F24 O24 -","8","1","","Li, Feng; Wang, Jingjing; Xu, Mengmeng; Zhao, Xiaobo; Zhou, Xiaohong; Zhao, Wen-Xian; Liu, Lantao","Catalytic stereoselective cascade reactions of quinols with trifluoromethyl ketones: direct access to CF3-containing 1,3-dioxolanes.","Organic & biomolecular chemistry","2016","14","16","3981","3988","10.1039/c6ob00281a","","","0.71073","MoKα","","0.0833","0.0545","","","0.1312","0.1499","","","","","","1.055","","","","has coordinates","182789","2020-10-21","18:00:00",""
"7155070","11.9786","0.0015","12.3683","0.0016","12.7772","0.0017","76.842","0.002","66.138","0.002","62.478","0.002","1533.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H32 N2 O2 -","- C41 H32 N2 O2 -","- C82 H64 N4 O4 -","2","1","","Wang, Wen-Bo; Zhu, Yan-Shuo; Guo, Sheng-Qiang; Wang, Qi-Lin; Bu, Zhan-Wei","A FeCl3-catalyzed highly regioselective 1,2-addition/substitution sequence for the construction of coumarin-substituted bis(indolyl)methanes.","Organic & biomolecular chemistry","2016","14","19","4420","4425","10.1039/c6ob00515b","","","0.71073","MoKα","","0.0533","0.0416","","","0.118","0.1292","","","","","","1.026","","","","has coordinates","183782","2020-10-21","18:00:00",""
"7155071","12.3797","0.0013","27.177","0.003","7.8604","0.0008","90","","98.193","0.002","90","","2617.6","0.5","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 B N6 O2 -","- C33 H19 B N6 O2 -","- C132 H76 B4 N24 O8 -","4","1","","Bernhard, Yann; Gigot, Elodie; Goncalves, Victor; Moreau, Mathieu; Sok, Nicolas; Richard, Philippe; Decréau, Richard A","Direct subphthalocyanine conjugation to bombesin vs. indirect conjugation to its lipidic nanocarrier.","Organic & biomolecular chemistry","2016","14","19","4511","4518","10.1039/c6ob00530f","","x-ray","0.71073","MoKα","","0.059","0.048","","","0.1217","0.1298","","","","","","1.052","","","","has coordinates","183783","2020-10-21","18:00:00",""
"7155072","8.3931","0.0006","12.0705","0.0007","19.3724","0.001","90","","95.807","0.005","90","","1952.5","0.2","295.06","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 P -","- C20 H22 N O5 P -","- C80 H88 N4 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Zheng, Lan; Yan, Xiao-Biao; Jin, Dong-Po; He, Yu-Tao; Liang, Yong-Min","Silver-promoted cinnamamidyl radical-mediated oxidative cascade cyclization: highly regioselective synthesis of phosphorylated azaspiro[4.5]decenones.","Organic & biomolecular chemistry","2016","14","19","4507","4510","10.1039/c6ob00505e","","x-ray","0.71","MoKα","","0.1029","0.0592","","","0.1415","0.1785","","","","","","1.034","","","","has coordinates","183784","2020-10-21","18:00:00",""
"7155073","8.7753","0.0001","21.3925","0.0002","12.0847","0.0001","90","","107.293","0.0012","90","","2166.06","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C72 H114 N6 O24 S6 -","6","3","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Tirfoin, Rémi; Moloney, Mark G.","Chemoselectivity and stereoselectivity of cyclisation pathways leading to bicyclic tetramates controlled by ring-chain tautomerisation in thiazolidines.","Organic & biomolecular chemistry","2016","14","19","4464","4478","10.1039/c6ob00557h","","","1.5418","CuKα","","0.0293","0.0283","","0.0734","0.0723","0.0734","","","","","","0.9994","","","","has coordinates","183785","2020-10-21","18:00:00",""
"7155074","8.8135","0.0007","9.3935","0.0009","11.2015","0.001","78.735","0.008","81.657","0.007","85.426","0.007","898.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N O8 P -","- C16 H20 N O8 P -","- C32 H40 N2 O16 P2 -","2","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","0.7107","MoKα","","0.046","0.0377","","","0.0924","0.0982","","","","","","1.03","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155075","9.47048","0.00018","8.60587","0.00017","18.2016","0.0004","90","","98.1319","0.0017","90","","1468.55","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","1.5418","CuKα","","0.0353","0.0322","","","0.0798","0.0827","","","","","","1.046","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155076","9.4276","0.0005","11.2761","0.0009","11.6981","0.001","112.674","0.008","90.151","0.005","96.976","0.005","1137.32","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.0579","0.0449","","","0.1166","0.129","","","","","","1.029","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155077","11.5059","0.0004","12.8459","0.0006","15.602","0.0008","106.081","0.004","93.226","0.004","109.728","0.004","2056.95","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","2","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.06","0.0488","","","0.1277","0.1402","","","","","","1.034","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155078","11.3239","0.0005","12.888","0.0007","25.7528","0.0011","90","","90","","90","","3758.4","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 N4 O6 -","- C38 H34 B2 N4 O6 -","- C152 H136 B8 N16 O24 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","x-ray","1.54184","CuKα","","0.0534","0.0482","","","0.129","0.1326","","","","","","0.998","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155079","37.5988","0.0015","14.8713","0.0006","8.2281","0.0003","90","","93.381","0.003","90","","4592.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","1:1 ?-glucofuranose BODIPY ester","","","- C44 H46 B2 N4 O17 -","- C44 H46 B2 N4 O17 -","- C176 H184 B8 N16 O68 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","","0.71073","MoKα","","0.092","0.0871","","","0.2318","0.2389","","","","","","1.081","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155080","5.6525","0.0014","7.679","0.002","32.488","0.009","90","","90","","90","","1410.2","0.6","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi","Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.","Organic & biomolecular chemistry","2016","14","19","4488","4498","10.1039/c6ob00531d","","","0.71073","MoKα","","0.035","0.0337","","","0.0726","0.0733","","","","","","1.117","","","","has coordinates","183781","2020-10-21","18:00:00",""
"7155081","5.5868","0.0004","6.1938","0.0004","31.33","0.002","90","","90","","90","","1084.13","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0595","0.061","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155082","23.8066","0.0009","5.4476","0.0002","10.6667","0.0004","90","","109.766","0.001","90","","1301.85","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H12 N4 O7 S -","- C9 H12 N4 O7 S -","- C36 H48 N16 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0243","0.0232","","","0.0578","0.0584","","","","","","1.072","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7155083","5.813","0.009","9.696","0.014","11.51","0.02","90","","97.53","0.05","90","","643.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0757","0.0604","","","0.139","0.1454","","","","","","1.03","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155084","6.2462","0.0004","9.5487","0.0007","20.1585","0.0015","90","","90","","90","","1202.32","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O5 S -","- C9 H12 N4 O5 S -","- C36 H48 N16 O20 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0445","0.0354","","","0.0788","0.0833","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155085","6.4782","0.0003","9.8389","0.0004","28.471","0.0012","90","","90","","90","","1814.69","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B N2 O7 S -","- C17 H19 B N2 O7 S -","- C68 H76 B4 N8 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0474","0.0376","","","0.0742","0.0771","","","","","","1.041","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155086","11.8465","0.0005","23.7593","0.001","6.5189","0.0003","90","","90","","90","","1834.84","0.14","140","2","140","2","","","","","","","plant","3","P 21 21 21","P 2ac 2ab","19","","(4S,5S,9S,10R)-13,14-seco-13-oxo-18-hydroxy-ent-abieta-7-en-14- oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Xiong, Juan; Hong, Zhi-Lai; Xu, Peng; Zou, Yike; Yu, Shang-Bo; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane diterpenoids with anti-neuroinflammatory activity from the rare Chloranthaceae plant Chloranthus oldhamii.","Organic & biomolecular chemistry","2016","14","20","4678","4689","10.1039/c6ob00731g","","","1.54178","CuKα","","0.0625","0.057","","","0.158","0.1632","","","","","","1.016","","","","has coordinates","183771","2020-10-21","18:00:00",""
"7155087","14.6923","0.0014","5.7956","0.0006","18.3537","0.0017","90","","103.638","0.007","90","","1518.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0697","0.0462","","","0.1054","0.118","","","","","","1.056","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155088","6.07","0.001","21.309","0.003","14.389","0.002","90","","93.273","0.002","90","","1858.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0423","0.0378","","","0.0949","0.0987","","","","","","1.053","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155089","5.808","0.0007","29.856","0.004","9.5397","0.0011","90","","90.185","0.007","90","","1654.2","0.4","296","2","296","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","triazolyl","triazolyl","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","2","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.0881","0.0478","","","0.0913","0.1066","","","","","","0.989","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155090","6.4456","0.0007","9.8102","0.0008","21.821","0.0019","90","","90","","90","","1379.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolyl","triazolyl","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.1109","0.0509","","","0.0965","0.1143","","","","","","0.933","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155091","8.0136","0.0016","10.278","0.002","13.463","0.003","70.38","0.03","86.42","0.03","78.55","0.03","1023.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0459","0.0441","","","0.1229","0.125","","","","","","1.053","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155092","10.555","0.002","7.2517","0.0015","18.652","0.004","90","","101.9","0.03","90","","1397","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 B O3 -","- C15 H21 B O3 -","- C60 H84 B4 O12 -","4","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0405","0.0398","","","0.1055","0.1061","","","","","","1.052","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155093","26.3331","0.0015","6.7154","0.0004","12.9775","0.0007","90","","101.913","0.003","90","","2245.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233b","4gip233b","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0791","0.0417","","","0.0885","0.102","","","","","","1.009","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155094","11.526","0.005","22.824","0.005","8.601","0.005","90","0.005","96.987","0.005","90","0.005","2245.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233a","4gip233a","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0686","0.0581","","","0.1371","0.1422","","","","","","1.13","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155095","11.592","0.002","11.7363","0.0013","11.788","0.0013","118.728","0.001","104.041","0.002","100.602","0.002","1276.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Cl N O2 S Si2 -","- C23 H30 Cl N O2 S Si2 -","- C46 H60 Cl2 N2 O4 S2 Si4 -","2","1","","Karmakar, Rajdip; Wang, Kung-Pern; Yun, Sang Young; Mamidipalli, Phani; Lee, Daesung","Hydrohalogenative aromatization of multiynes promoted by ruthenium alkylidene complexes.","Organic & biomolecular chemistry","2016","14","21","4782","4788","10.1039/c6ob00524a","","","0.71073","MoKα","","0.0346","0.0284","","","0.1189","0.1314","","","","","","1.072","","","","has coordinates","183774","2020-10-21","18:00:00",""
"7155096","10.9257","0.0005","12.2016","0.0004","12.7292","0.0004","111.624","0.003","97.49","0.003","110.94","0.004","1404.62","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 F3 N2 O7 -","- C30 H31 F3 N2 O7 -","- C60 H62 F6 N4 O14 -","2","1","","Pascal, Simon; Besnard, Céline; Zinna, Francesco; Di Bari, Lorenzo; Le Guennic, Boris; Jacquemin, Denis; Lacour, Jérôme","Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions.","Organic & biomolecular chemistry","2016","14","20","4590","4594","10.1039/c6ob00752j","","x-ray","1.5418","CuKα","","0.0514","0.0465","","","0.1259","0.1309","","","","","","1.061","","","","has coordinates,has disorder","183770","2020-10-21","18:00:00",""
"7155097","12.454","0.0009","10.0078","0.0003","16.746","0.0008","90","","109.346","0.008","90","","1969.3","0.2","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrazine 4ab","diethyl 1-(1-chloroethanesulfonyl)-2-(4-nitrobenzoyl)hydrazine-1,2-dicarboxylate","","- C15 H18 Cl N3 O9 S -","- C15 H18 Cl N3 O9 S -","- C60 H72 Cl4 N12 O36 S4 -","4","1","","Zhou, Bingnan; Xu, Jiaxi","Tertiary amine-catalyzed and direct synthesis of α-chloroalkanesulfonylhydrazines from azodicarboxylates and sulfonyl chlorides.","Organic & biomolecular chemistry","2016","14","21","4918","4926","10.1039/c6ob00648e","","","0.7107","MoKα","","0.0692","0.0572","","","0.1348","0.1418","","","","","","1.067","","","","has coordinates,has disorder","183775","2020-10-21","18:00:00",""
"7155098","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155099","9.2124","0.0017","24.401","0.005","12.236","0.002","90","","91.337","0.006","90","","2749.8","0.9","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 2-diethoxyphosphoryloxy-4-nitro-2,3-diphenylbutanoate","","- C27 H30 N O8 P -","- C27 H30 N O8 P -","- C108 H120 N4 O32 P4 -","4","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.0597","0.0482","","","0.1077","0.1137","","","","","","1.074","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155100","13.7074","0.0004","16.534","0.0005","7.8722","0.0002","90","","103.803","0.002","90","","1732.62","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-dimethylphenyl)-9-methyl-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.1155","0.05","","","0.1121","0.1404","","","","","","0.912","","","","has coordinates","183777","2020-10-21","18:00:00",""
"7155101","6.0126","0.0002","8.6199","0.0002","14.4875","0.0004","87.165","0.001","79.597","0.001","86.91","0.001","736.84","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-benzyl‒2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.0585","0.0395","","","0.1018","0.1134","","","","","","1.038","","","","has coordinates,has disorder","183777","2020-10-21","18:00:00",""
"7155102","14.7051","0.0013","7.9191","0.0007","26.746","0.002","90","","93.6625","0.0013","90","","3108.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","","0.71073","MoKα","","0.0441","0.0334","","","0.0759","0.0816","","","","","","1.05","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155103","12.8328","0.0002","26.5383","0.0004","9.2577","0.0001","90","","90","","90","","3152.81","0.08","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","x-ray","1.54178","CuKα","","0.0307","0.0307","","","0.0805","0.0806","","","","","","1.067","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155104","17.381","0.003","13.319","0.002","18.156","0.003","90","","90","","90","","4203.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 O5 P -","- C24 H25 O5 P -","- C192 H200 O40 P8 -","8","1","","Koppanathi, Nagaraju; Swamy, K. C. Kumara","Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.","Organic & biomolecular chemistry","2016","14","22","5079","5087","10.1039/c6ob00787b","","","0.71073","MoKα","","0.0777","0.0487","","","0.1147","0.1328","","","","","","0.954","","","","has coordinates","183748","2020-10-21","18:00:00",""
"7155105","10.0372","0.0004","13.0997","0.0005","15.0079","0.0005","90","","90","","90","","1973.3","0.13","100","2","100","2","","","","","","","stable","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Han, Xiaoyu; Ni, Huanzhen; Chan, Wai-Lun; Gai, Xikun; Wang, Yongjiang; Lu, Yixin","Highly enantioselective synthesis of dihydrocoumarin-fused dihydropyrans via the phosphine-catalyzed [4 + 2] annulation of allenones with 3-aroylcoumarins.","Organic & biomolecular chemistry","2016","14","22","5059","5064","10.1039/c6ob00955g","","","1.54178","CuKα","","0.0305","0.0302","","","0.0793","0.0796","","","","","","1.06","","","","has coordinates","183750","2020-10-21","18:00:00",""
"7155106","9.7777","0.0006","14.7275","0.0009","18.3746","0.0013","94.956","0.003","98.625","0.003","90.324","0.003","2605.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","4","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1163","0.0729","","","0.2179","0.2551","","","","","","1.65","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155107","8.2657","0.0004","14.1996","0.0006","21.2896","0.0009","90","","90","","90","","2498.75","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","2","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.0453","0.0395","","","0.1181","0.1313","","","","","","1.147","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155108","10.5054","0.0006","13.8935","0.0009","14.8405","0.001","102.826","0.004","105.411","0.004","94.441","0.004","2014.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 I N2 S -","- C15 H9 I N2 S -","- C90 H54 I6 N12 S6 -","6","3","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1079","0.048","","","0.1332","0.1859","","","","","","1.065","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155109","8.805","0.003","9.007","0.004","10.923","0.004","67.435","0.009","78.145","0.009","73.817","0.01","763.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Chen, Tingting; Cai, Chun","Imidazolylpyridine-In(OTf)3 catalyzed enantioselective allylation of ketimines derived from isatins.","Organic & biomolecular chemistry","2016","14","22","5019","5022","10.1039/c6ob00551a","","","0.71073","MoKα","","0.0824","0.0776","","","0.2292","0.2368","","","","","","1.062","","","","has coordinates","183747","2020-10-21","18:00:00",""
"7155110","8.4625","0.0004","22.0335","0.0009","33.7885","0.0014","90","","90.083","0.001","90","","6300.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C276 H240 N24 O48 S24 -","12","3","","Zhang, Xiaolei; Wu, Rui; Liu, Wanyi; Qian, Dang-Wei; Yang, Jinhui; Jiang, Pengju; Zheng, Qing-Zhong","Copper-catalyzed intermolecular amidation of 8-methylquinolines with N-fluoroarylsulfonimides via Csp(3)-H activation.","Organic & biomolecular chemistry","2016","14","21","4789","4793","10.1039/c6ob00553e","","","0.71073","MoKα","","0.1493","0.1272","","","0.2561","0.2668","","","","","","1.216","","","","has coordinates","183773","2020-10-21","18:00:00",""
"7155111","10.5253","0.0007","19.4986","0.0012","15.3673","0.001","90","","90.034","0.002","90","","3153.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N2 O2 -","- C38 H42 N2 O2 -","- C152 H168 N8 O8 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.154","0.137","","","0.3205","0.3306","","","","","","1.081","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155112","9.5","0.005","11.269","0.005","12.113","0.006","111.974","0.007","97.28","0.008","101.443","0.007","1149.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0897","0.0551","","","0.1439","0.2038","","","","","","0.885","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155113","9.752","0.014","11.395","0.016","12.462","0.017","105.79","0.03","107.47","0.02","99.95","0.02","1221","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.1476","0.0693","","","0.1651","0.2299","","","","","","0.841","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155114","9.0981","0.0018","20.673","0.004","24.866","0.005","90","","90","","90","","4676.9","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C240 H216 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0931","0.0513","","","0.1145","0.15","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155115","19.869","0.009","8.329","0.003","23.3","0.009","90","","110.432","0.012","90","","3613","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0903","0.0644","","","0.1709","0.1952","","","","","","1.042","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155116","7.845","0.005","9.525","0.003","14.475","0.005","102.857","0.005","103.298","0.002","104.067","0.005","975.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0845","0.0567","","","0.1437","0.1677","","","","","","1.067","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155117","9.929","0.004","10.675","0.004","12.143","0.004","90.655","0.007","113.506","0.006","109.344","0.006","1098.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C58 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.067","0.0512","","","0.1243","0.1503","","","","","","1.09","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155118","13.9952","0.0018","8.4878","0.0011","16.603","0.002","90","","101.548","0.002","90","","1932.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0775","0.05","","","0.1536","0.174","","","","","","1.056","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155119","8.4422","0.0013","9.1367","0.0014","12.95","0.002","98.373","0.002","97.607","0.002","101.428","0.002","955.2","0.3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1478","0.158","","","","","","1.043","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155120","9.4039","0.001","17.681","0.002","12.434","0.0014","90","","110.481","0.002","90","","1936.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0454","0.0378","","","0.1086","0.1164","","","","","","1.044","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155121","9.1206","0.0007","12.5475","0.0009","15.2318","0.0011","103.415","0.001","99.625","0.001","110.111","0.001","1532.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O8 -","- C34 H33 N3 O8 -","- C68 H66 N6 O16 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0755","0.0626","","","0.1403","0.1488","","","","","","1.099","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155122","9.4639","0.0006","18.9173","0.0012","12.0648","0.0008","90","","103.506","0.001","90","","2100.2","0.2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl F3 N2 O3 -","- C18 H16 Cl F3 N2 O3 -","- C72 H64 Cl4 F12 N8 O12 -","4","2","","Zhou, Ding; Yu, Xueting; Zhang, Jian; Wang, Wei; Xie, Hexin","Organocatalytic asymmetric addition of alcohols to cyclic trifluoromethyl ketimines: highly enantioselective synthesis of chiral N,O-ketals.","Organic & biomolecular chemistry","2016","14","26","6193","6196","10.1039/c6ob00890a","","","0.71073","MoKα","","0.0665","0.0564","","","0.1572","0.1661","","","","","","1.058","","","","has coordinates","185632","2020-10-21","18:00:00",""
"7155123","5.7389","0.0004","11.4338","0.0008","22.2456","0.0018","90","","90","","90","","1459.7","0.19","207","70","207","70","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Fu, Xuan; Lin, Lili; Xia, Yong; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric [3 + 3] annulation of cyclopropanes with mercaptoacetaldehyde.","Organic & biomolecular chemistry","2016","14","25","5914","5917","10.1039/c6ob00948d","","x-ray","0.71073","MoKα","","0.0467","0.0432","","","0.1019","0.1068","","","","","","1.054","","","","has coordinates","185634","2020-10-21","18:00:00",""
"7155124","7.5608","0.0008","13.1579","0.0014","16.9471","0.0018","90","","90","","90","","1686","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng","An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.","Organic & biomolecular chemistry","2016","14","23","5229","5232","10.1039/c6ob00814c","","","0.71073","MoKα","","0.0462","0.0395","","","0.0933","0.097","","","","","","1.03","","","","has coordinates,has disorder","183779","2020-10-21","18:00:00",""
"7155125","5.4675","0.0003","9.3791","0.0007","11.1931","0.0009","84.624","0.005","79.858","0.004","82.835","0.004","559.09","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F N O2 -","- C15 H8 F N O2 -","- C30 H16 F2 N2 O4 -","2","1","","Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.","Organic & biomolecular chemistry","2016","14","25","5940","5944","10.1039/c6ob01029f","","","0.71073","MoKα","","0.1528","0.0759","","","0.1259","0.1537","","","","","","0.931","","","","has coordinates","185636","2020-10-21","18:00:00",""
"7155126","5.8626","0.0012","8.971","0.0018","15.298","0.003","94.01","0.03","94","0.03","92.42","0.03","799.8","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O -","- C21 H18 O -","- C42 H36 O2 -","2","1","","Zhong, Shanshan; Lu, Yu; Zhang, Yan; Liu, Yunyun; Wan, Jie-Ping","Synthesis of β,β-diaryl propiophenones via palladium-catalyzed domino arylboronation, elimination and enone hydroarylation of enaminones.","Organic & biomolecular chemistry","2016","14","26","6270","6273","10.1039/c6ob01038e","","","0.71073","MoKα","","0.0706","0.0382","","","0.1025","0.1408","","","","","","1.129","","","","has coordinates","185627","2020-10-21","18:00:00",""
"7155127","11.689","0.002","17.969","0.004","12.35","0.003","90","","90.44","0.03","90","","2593.9","1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","2","","Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming","Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.","Organic & biomolecular chemistry","2016","14","26","6337","6345","10.1039/c6ob00711b","","","0.71073","MoKα","","0.0632","0.053","","","0.1486","0.1722","","","","","","1.098","","","","has coordinates","185628","2020-10-21","18:00:00",""
"7155128","8.1994","0.0005","5.9821","0.0004","13.9212","0.0009","90","","93.572","0.006","90","","681.5","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N2 O4 -","- C12 H13 F3 N2 O4 -","- C24 H26 F6 N4 O8 -","2","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0639","0.0547","","","0.1551","0.1662","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155129","5.4617","0.0003","8.2109","0.0005","23.4585","0.0011","90","","90","","90","","1052.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0599","0.0457","","","0.1115","0.1229","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155130","8.7507","0.0008","13.2608","0.0011","12.676","0.0011","90","","93.655","0.004","90","","1467.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0806","0.0539","","","0.1388","0.1555","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155131","8.7337","0.001","10.5429","0.0013","11.3995","0.0014","64.657","0.004","80","0.004","74.626","0.004","912.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0685","0.0464","","","0.1243","0.1432","","","","","","1.099","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155132","11.095","0.0013","10.2803","0.0013","19.4298","0.0019","90","","109.348","0.006","90","","2091","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1178","0.0586","","","0.1284","0.1522","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155133","7.952","0.002","12.865","0.003","16.507","0.004","90","","107.409","0.012","90","","1611.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C56 H72 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0688","0.0469","","","0.1296","0.1493","","","","","","1.065","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155134","8.8046","0.0014","10.5597","0.0017","11.8943","0.0019","69.617","0.004","83.083","0.004","73.659","0.004","994.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O6 S -","- C19 H19 Br N2 O6 S -","- C38 H38 Br2 N4 O12 S2 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0449","0.0369","","","0.0934","0.0971","","","","","","1.088","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155135","9.954","0.007","16.203","0.01","13.457","0.007","90","","96.401","0.019","90","","2157","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1392","0.0927","","","0.2615","0.3022","","","","","","1.032","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155136","9.3547","0.0017","10.5618","0.0019","11.822","0.002","63.544","0.005","75.007","0.005","71.573","0.005","982.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C42 H48 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0854","0.0451","","","0.1086","0.128","","","","","","1.011","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155137","8.5073","0.0018","10.502","0.002","11.966","0.003","101.061","0.007","101.512","0.007","93.112","0.007","1023.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C36 H44 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1218","0.0556","","","0.1301","0.1606","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155138","8.6218","0.0014","15.664","0.002","16.949","0.003","77.049","0.005","78.276","0.004","89.931","0.005","2181.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O10 -","- C19 H24 N2 O10 -","- C76 H96 N8 O40 -","4","2","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1215","0.0705","","","0.1796","0.1974","","","","","","1.018","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155139","13.2804","0.0018","12.6107","0.0015","17.7624","0.0019","90","","125.573","0.007","90","","2419.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 -","- C24 H26 N2 O10 -","- C96 H104 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1011","0.0496","","","0.1171","0.1464","","","","","","1.081","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155140","10.685","0.002","11.358","0.002","13.19","0.002","74.859","0.006","68.301","0.005","76.133","0.006","1417.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O10 -","- C30 H30 N2 O10 -","- C60 H60 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0921","0.0526","","","0.1138","0.1302","","","","","","1.028","","","","has coordinates,has disorder","185642","2020-10-21","18:00:00",""
"7155141","13.234","0.003","9.2233","0.0016","20.475","0.004","90","","102.781","0.006","90","","2437.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O10 -","- C22 H30 N2 O10 -","- C88 H120 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1397","0.0649","","","0.1525","0.1769","","","","","","1.046","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155142","8.6267","0.0014","10.6646","0.0015","11.1642","0.0017","113.847","0.004","92.046","0.005","97.197","0.005","927.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.095","0.0529","","","0.1261","0.143","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155143","7.1148","0.0017","11.372","0.003","12.653","0.003","110.96","0.007","91.815","0.008","93.31","0.008","952.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Br N2 O6 -","- C18 H19 Br N2 O6 -","- C36 H38 Br2 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0735","0.0552","","","0.1315","0.1398","","","","","","1.085","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155144","6.2368","0.0003","12.0269","0.0005","12.3293","0.0006","107.207","0.002","92.248","0.002","98.168","0.002","871.22","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F O4 -","- C22 H15 F O4 -","- C44 H30 F2 O8 -","2","1","","Xie, Yuanwei; Yu, Chenxia; Que, Yonglei; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Shen, Shide; Yao, Changsheng","N-Heterocyclic carbene-triggered transition-metal-free synthesis of 2,3-disubstituted benzofuran derivatives.","Organic & biomolecular chemistry","2016","14","27","6463","6469","10.1039/c6ob00363j","","","0.71073","MoKα","","0.1268","0.0946","","","0.3069","0.3526","","","","","","1.338","","","","has coordinates","185644","2020-10-21","18:00:00",""
"7155145","17.926","0.012","14.393","0.01","8.191","0.006","90","","93.891","0.014","90","","2108","3","230","2","230","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 -","- C48 H76 -","- C96 H152 -","2","0.5","","Lidster, Benjamin J.; Kumar, Dharam R.; Spring, Andrew M.; Yu, Chin-Yang; Helliwell, Madeleine; Raftery, James; Turner, Michael L.","Alkyl substituted [2.2]paracyclophane-1,9-dienes.","Organic & biomolecular chemistry","2016","14","25","6079","6087","10.1039/c6ob00885b","","","0.71073","MoKα","","0.0719","0.0538","","","0.1449","0.1546","","","","","","0.958","","","","has coordinates","185635","2020-10-21","18:00:00",""
"7155146","10.6209","0.0017","10.0531","0.0016","10.7441","0.0018","90","","97.548","0.004","90","","1137.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F N O3 S -","- C23 H28 F N O3 S -","- C46 H56 F2 N2 O6 S2 -","2","1","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0586","0.0511","","","0.1168","0.1222","","","","","","1.026","","","","has coordinates,has disorder","185637","2020-10-21","18:00:00",""
"7155147","9.6078","0.0018","18.11","0.004","21.537","0.004","90","","90","","90","","3747.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F N O3 S -","- C17 H26 F N O3 S -","- C136 H208 F8 N8 O24 S8 -","8","2","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0808","0.0503","","","0.1103","0.1238","","","","","","0.993","","","","has coordinates","185637","2020-10-21","18:00:00",""
"7155148","9.7273","0.0011","13.2654","0.0014","15.7765","0.0015","90","","97.263","0.004","90","","2019.4","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Ramachary, Dhevalapally B.; Krishna, Patoju M.; Reddy, T. Prabhakar","Stereoselective synthesis of cyclopentanone-fused benzosultams through Tomita zipper cyclization.","Organic & biomolecular chemistry","2016","14","27","6413","6416","10.1039/c6ob01096b","","","0.71073","MoKα","","0.069","0.0571","","","0.1463","0.1538","","","","","","1.032","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155149","10.5258","0.0009","11.7582","0.001","14.4254","0.0012","90","","90","","90","","1785.4","0.3","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl O3 -","- C24 H15 Cl O3 -","- C96 H60 Cl4 O12 -","4","1","","Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan","Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.","Organic & biomolecular chemistry","2016","14","27","6435","6441","10.1039/c6ob00893c","","","0.71073","MoKα","","0.0397","0.0349","","","0.0851","0.0885","","","","","","1.045","","","","has coordinates","185646","2020-10-21","18:00:00",""
"7155150","10.9419","0.0006","24.477","0.0012","11.0478","0.0009","90","","118.723","0.0016","90","","2594.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 N4 O7 Ru -","- C28 H26 N4 O7 Ru -","- C112 H104 N16 O28 Ru4 -","4","1","","Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu","ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide.","Organic & biomolecular chemistry","2016","14","31","7468","7479","10.1039/c6ob00969g","","","0.78305","Synchrotron","","0.0612","0.0412","","","0.0848","0.1032","","","","","","1.091","","","","has coordinates,has disorder","185647","2020-10-21","18:00:00",""
"7155151","6.49177","0.00015","15.0859","0.0003","7.43648","0.00019","90","","104.76","0.002","90","","704.25","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2?-N,4?-C-(Aminosulfonylmethylene)thymidine","","- C11 H17 N3 O8 S -","- C11 H17 N3 O8 S -","- C22 H34 N6 O16 S2 -","2","1","","Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi","Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.","Organic & biomolecular chemistry","2016","14","27","6531","6538","10.1039/c6ob01051b","","","1.54187","CuKα","","0.0287","0.0272","","","0.0705","0.0723","","","","","","1.071","","","","has coordinates","185638","2020-10-21","18:00:00",""
"7155152","6.4286","0.0003","7.452","0.0003","11.707","0.0005","89.263","0.002","78.416","0.002","84.742","0.002","547.09","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","compound 13; JMS-631-053","7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C26 H16 N4 O4 S2 -","2","1","","Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor.","Organic & biomolecular chemistry","2016","14","27","6398","6402","10.1039/c6ob00946h","","","1.54178","CuKα","","0.0468","0.0424","","","0.1274","0.1306","","","","","","1.479","","","","has coordinates","185639","2020-10-21","18:00:00",""
"7155153","8.291","0.005","10.918","0.005","22.462","0.005","90","0.005","90","0.005","90","0.005","2033.3","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-tert-butyl 2-oxo-5-((R)-3-oxo-1-phenyl-3-(pyridin-2-yl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; You, Yong; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective synthesis of chiral α,β-unsaturated γ-substituted butyrolactams by organocatalyzed direct asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam to 2-enoylpyridines.","Organic & biomolecular chemistry","2016","14","27","6568","6576","10.1039/c6ob01191h","","","1.54184","CuKα","","0.0552","0.0454","","","0.1149","0.1357","","","","","","1.087","","","","has coordinates,has disorder","185640","2020-10-21","18:00:00",""
"7155154","5.891","0.0005","7.7688","0.0006","16.658","0.0014","84.298","0.006","82.177","0.007","84.893","0.006","749.33","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 F3 N O2 -","- C19 H10 F3 N O2 -","- C38 H20 F6 N2 O4 -","2","1","","Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.","Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.","Organic & biomolecular chemistry","2016","14","26","6328","6336","10.1039/c6ob00998k","","","0.71073","MoKα","","0.1308","0.0734","","","0.1927","0.239","","","","","","1.033","","","","has coordinates","185630","2020-10-21","18:00:00",""
"7155155","11.908","0.002","12.416","0.003","13.154","0.003","90","","90","","90","","1944.8","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.","Organic & biomolecular chemistry","2016","14","27","6422","6425","10.1039/c6ob01040g","","","0.71073","MoKα","","0.037","0.0357","","","0.0826","0.0838","","","","","","1.075","","","","has coordinates","185641","2020-10-21","18:00:00",""
"7155156","12.1612","0.0018","12.2372","0.0019","14.9998","0.002","90","","111.703","0.004","90","","2074","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Prabhakar Reddy, T.; Suresh Kumar, A.","Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.","Organic & biomolecular chemistry","2016","14","27","6517","6522","10.1039/c6ob01009a","","","0.71073","MoKα","","0.0799","0.0538","","","0.131","0.142","","","","","","1.056","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155157","4.9002","0.0003","16.6369","0.0009","25.4887","0.0015","90","","90","","90","","2077.9","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C96 H80 N16 O8 S4 -","4","1","","Wang, Yanxin J.; Szantai-Kis, D Miklos; Petersson, E. James","Chemoselective modifications for the traceless ligation of thioamide-containing peptides and proteins.","Organic & biomolecular chemistry","2016","14","26","6262","6269","10.1039/c6ob01020b","","","0.71073","MoKα","","0.0416","0.033","","","0.0693","0.0722","","","","","","1.017","","","","has coordinates","185631","2020-10-21","18:00:00",""
"7155158","11.709","0.006","17.325","0.01","17.761","0.01","105.979","0.008","103.227","0.009","99.347","0.009","3273","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N5 S Si -","- C30 H39 N5 S Si -","- C120 H156 N20 S4 Si4 -","4","2","","Wang, Baogang; Cui, Xiaoyan; Zhang, Zhiqiang; Chai, Xiaoyun; Ding, Hao; Wu, Qiuye; Guo, Zhongwu; Wang, Ting","A six-membered-ring incorporated Si-rhodamine for imaging of copper(ii) in lysosomes.","Organic & biomolecular chemistry","2016","14","28","6720","6728","10.1039/c6ob00894a","","","0.71073","MoKα","","0.1954","0.153","","","0.3885","0.428","","","","","","1.475","","","","has coordinates","185663","2020-10-21","18:00:00",""
"7155159","7.49844","0.00012","10.97341","0.00019","16.2847","0.0003","90","","90","","90","","1339.96","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.","Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.","Organic & biomolecular chemistry","2016","14","26","6197","6200","10.1039/c6ob00941g","","","1.54184","CuKα","","0.0252","0.0245","","","0.0626","0.0632","","","","","","1.058","","","","has coordinates,has disorder","185633","2020-10-21","18:00:00",""
"7155160","12.1992","0.0004","9.7061","0.0003","13.4162","0.0004","90","","98.061","0.003","90","","1572.87","0.09","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-fluoro-4-methyl-5-(thiophen-3-yl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione","","- C16 H15 B F N O4 S -","- C16 H15 B F N O4 S -","- C64 H60 B4 F4 N4 O16 S4 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0755","0.0645","","","0.1751","0.1846","","","","","","1.062","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155161","7.2445","0.0003","10.6254","0.0005","12.411","0.0006","90","","90.957","0.005","90","","955.21","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-acetamido-2-bromophenyl)boronic acid","","- C8 H9 B Br N O3 -","- C8 H9 B Br N O3 -","- C32 H36 B4 Br4 N4 O12 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0493","0.0432","","","0.1098","0.1175","","","","","","1.055","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155162","11.2328","0.0004","8.8504","0.0002","13.6957","0.0004","90","","99.998","0.002","90","","1340.88","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","5-bromo-2-fluoro-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde","","- C12 H10 B Br F N O5 -","- C12 H10 B Br F N O5 -","- C48 H40 B4 Br4 F4 N4 O20 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","0.71073","MoKα","","0.047","0.0371","","","0.1018","0.1152","","","","","","1.112","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155163","10.4496","0.0003","15.6045","0.0005","19.2722","0.0006","104.775","0.002","100.93","0.002","98.868","0.002","2914.84","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,chloro-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Cl P Rh -","- C34 H35 Cl P Rh -","- C136 H140 Cl4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.111","0.0611","","","0.1183","0.1373","","","","","","1","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155164","10.4383","0.0002","15.6767","0.0004","19.2505","0.0005","104.905","0.002","100.833","0.001","98.753","0.001","2922.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,bromo-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Br P Rh -","- C34 H35 Br P Rh -","- C136 H140 Br4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1487","0.0825","","","0.2105","0.2502","","","","","","1.003","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155165","8.5942","0.0002","16.888","0.0004","19.6492","0.0004","90","","91.809","0.001","90","","2850.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex","","- C29 H32 Cl4 P Rh -","- C29 H32 Cl4 P Rh -","- C116 H128 Cl16 P4 Rh4 -","4","1","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.0559","0.0337","","","0.0657","0.075","","","","","","1.001","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155166","9.7693","0.0004","16.4783","0.0007","19.4329","0.0007","90","","90","","90","","3128.3","0.2","296","2","296","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1627","0.0681","","","0.1709","0.2424","","","","","","1.005","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155167","23.463","0.005","12.095","0.002","20.499","0.005","90","","96.456","0.007","90","","5780","2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1521","0.0784","","","0.2295","0.2948","","","","","","1.033","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155168","9.861","0.005","10.455","0.005","15.398","0.008","89.66","0.009","76.844","0.009","63.337","0.008","1373","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N O3 -","- C34 H30 N O3 -","- C68 H60 N2 O6 -","2","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1495","0.0805","","","0.2057","0.2548","","","","","","0.959","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155169","9.8932","0.0013","15.009","0.002","21.27","0.003","90","","90","","90","","3158.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N S -","- C17 H16 F3 N S -","- C136 H128 F24 N8 S8 -","8","2","","Zhou, Ji; Zhang, Qian-Fan; Zhao, Wei-Hao; Jiang, Guo-Fang","Chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation of 3-trifluoromethylthioquinolines.","Organic & biomolecular chemistry","2016","14","29","6937","6941","10.1039/c6ob01176d","","","0.71073","MoKα","","0.072","0.0539","","","0.1106","0.1186","","","","","","1.034","","","","has coordinates","185657","2020-10-21","18:00:00",""
"7155170","7.6135","0.0008","13.282","0.002","18.5374","0.0011","90","","90","","90","","1874.5","0.4","291.89","0.1","291.89","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong","Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.","Organic & biomolecular chemistry","2016","14","28","6757","6761","10.1039/c6ob01095d","","","0.71073","MoKα","","0.1492","0.064","","","0.0989","0.1357","","","","","","0.975","","","","has coordinates","185661","2020-10-21","18:00:00",""
"7155171","8.4952","0.0002","9.1213","0.0002","14.963","0.0003","90","","90","","90","","1159.44","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C44 H64 O4 S8 -","4","1","","Diebler, J.; Spannenberg, A.; Werner, T.","Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes.","Organic & biomolecular chemistry","2016","14","31","7480","7489","10.1039/c6ob01081d","","","0.71073","MoKα","","0.0245","0.0235","","","0.0625","0.0635","","","","","","1.068","","","","has coordinates","185648","2020-10-21","18:00:00",""
"7155172","15.239","0.004","5.9523","0.0015","16.588","0.004","90","","109.134","0.003","90","","1421.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5a","","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0494","0.0393","","","0.1039","0.1124","","","","","","1.025","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155173","6.0819","0.0003","32.2686","0.0017","7.3498","0.0004","90","","109.852","0.002","90","","1356.71","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 3a","","","- C13 H13 N5 O2 S -","- C13 H13 N5 O2 S -","- C52 H52 N20 O8 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0477","0.0422","","","0.1223","0.1335","","","","","","1.06","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155174","8.9502","0.0006","9.1881","0.0005","11.6731","0.0008","83.963","0.006","70.783","0.005","77.642","0.005","884.82","0.1","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N -","- C24 H23 N -","- C48 H46 N2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0462","0.041","","","0.1063","0.1105","","","","","","1.039","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155175","11.461","0.003","18.171","0.005","7.917","0.002","90","","106.77","0.004","90","","1578.7","0.7","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0341","0.0328","","","0.0803","0.0816","","","","","","1.057","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155176","6.819","0.0012","8.4731","0.0015","17.387","0.003","91.13","0.004","90.978","0.005","96.993","0.004","996.7","0.3","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0489","0.0448","","","0.1127","0.1168","","","","","","1.029","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155177","9.059","0.002","9.9601","0.0019","11.1789","0.0018","114.934","0.008","101.127","0.013","92.311","0.014","889","0.3","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","(4aR^*^,9aR^*^)-4a,9-diallyl-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino [6,5-b]indole","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0476","0.0438","","","0.0907","0.0931","","","","","","1.019","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155178","9.1842","0.0015","10.542","0.002","11.953","0.002","84.992","0.011","72.078","0.011","74.256","0.011","1059.8","0.3","98","","98","","","","","","","","","5","P -1","-P 1","2","","(4aR,9aR)-6-bromo-4a-ethyl-9-(2-methylbenzyl)-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino[6,5-b]indole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C52 H50 Br2 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0416","0.0377","","","0.0867","0.0885","","","","","","1.021","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155179","8.2558","0.0006","10.1328","0.0007","13.9082","0.0011","77.492","0.006","79.13","0.006","85.572","0.006","1114.68","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O3 S -","- C26 H22 N4 O3 S -","- C52 H44 N8 O6 S2 -","2","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0746","0.0505","","","0.1265","0.1446","","","","","","1.031","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155180","11.8786","0.0008","14.6539","0.0007","14.7921","0.001","90","","112.989","0.008","90","","2370.3","0.3","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F N4 O3 S -","- C26 H20 B F N4 O3 S -","- C104 H80 B4 F4 N16 O12 S4 -","4","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0566","0.0399","","","0.0945","0.1057","","","","","","1.017","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155181","33.094","0.003","9.7382","0.0007","15.8855","0.0011","90","","96.54","0.007","90","","5086.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O4 S -","- C26 H26 N4 O4 S -","- C208 H208 N32 O32 S8 -","8","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0972","0.0531","","","0.1287","0.1563","","","","","","1.02","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155182","10.6347","0.0007","5.7454","0.0004","25.1891","0.0015","90","","94.578","0.002","90","","1534.16","0.17","293","2","293","2","","","","","","","man made","5","P 1 21 1","P 2yb","4","no","Dimethyl-2-(1-(4-bromophenyl)allyl)-2-fluoromalonate","","- C14 H14 Br F O4 -","- C14 H14 Br F O4 -","- C56 H56 Br4 F4 O16 -","4","2","","Zhang, Hongbo; Chen, Jiteng; Zhao, Xiao-Ming","Enantioselective synthesis of fluorinated branched allylic compounds via Ir-catalyzed allylations of functionalized fluorinated methylene derivatives.","Organic & biomolecular chemistry","2016","14","30","7183","7186","10.1039/c6ob01246a","","","1.54178","CuKα","","0.0545","0.0519","","","0.1461","0.1493","","","","","","1.056","","","","has coordinates","185625","2020-10-21","18:00:00",""
"7155183","12.5012","0.0006","16.1346","0.0007","7.6541","0.0004","90","","106.967","0.002","90","","1476.65","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C64 H72 N8 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0947","0.0561","","","0.1133","0.1272","","","","","","1.092","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155184","10.0466","0.0004","7.7834","0.0003","22.9774","0.001","90","","93.92","0.002","90","","1792.55","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(2,4,5-trimethoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0614","0.042","","","0.0976","0.1066","","","","","","1.023","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155185","7.303","0.003","16.637","0.005","12.598","0.005","90","","97.725","0.013","90","","1516.8","1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(3-hydroxy-4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C64 H72 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0727","0.0447","","","0.0931","0.1042","","","","","","1.079","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155186","12.7194","0.0004","8.0294","0.0003","16.4422","0.0006","90","","105.304","0.001","90","","1619.68","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-(dimethylamino)benzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1167","","","","","","1.029","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155187","8.5748","0.0003","16.5115","0.0005","10.8532","0.0004","90","","100.922","0.001","90","","1508.79","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0419","0.0333","","","0.0799","0.0847","","","","","","1.035","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155188","14.6019","0.0006","15.8336","0.0005","7.5085","0.0003","90","","90.141","0.002","90","","1735.96","0.11","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(4-propoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.074","0.0472","","","0.109","0.1213","","","","","","1.037","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155189","13.1879","0.0008","8.2959","0.0004","16.8693","0.001","90","","111.933","0.002","90","","1712.01","0.17","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxy-2,3-dimethylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0573","0.041","","","0.1007","0.1101","","","","","","1.032","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155190","19.808","0.002","19.648","0.002","7.5797","0.0008","90","","95.378","0.004","90","","2936.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","2","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.1514","0.0635","","","0.1073","0.1341","","","","","","1.026","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155191","6.9066","0.0006","10.3537","0.001","12.5514","0.0013","96.955","0.004","103.338","0.003","100.576","0.003","845.87","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.047","0.0389","","","0.1052","0.1122","","","","","","1.038","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155192","8.3333","0.0006","16.8148","0.0012","10.7927","0.0008","90","","103.96","0.002","90","","1467.64","0.18","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(benzo[d][1,3]dioxol-4-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.064","0.0403","","","0.0869","0.0959","","","","","","1.088","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155193","19.3839","0.0006","7.788","0.0003","20.9133","0.0008","90","","90","","90","","3157.1","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-5-(naphthalen-1-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C152 H144 N16 O8 S8 -","8","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0713","0.0436","","","0.0865","0.0956","","","","","","1.065","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155194","7.958","0.003","9.449","0.003","19.866","0.006","90","","90","","90","","1493.8","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl F O3 -","- C18 H12 Cl F O3 -","- C72 H48 Cl4 F4 O12 -","4","1","","Sha, Wanxing; Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Catalytic cascade aldol-cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C-F quaternary stereogenic center.","Organic & biomolecular chemistry","2016","14","30","7295","7303","10.1039/c6ob01152g","","","0.71073","MoKα","","0.0787","0.0384","","","0.0688","0.0822","","","","","","0.995","","","","has coordinates","185622","2020-10-21","18:00:00",""
"7155195","4.7369","0.0004","24.686","0.002","12.2902","0.0013","90","","99.492","0.003","90","","1417.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Üçüncü, Muhammed; Cantürk, Ceren; Karakuş, Erman; Zeybek, Hüseyin; Bozkaya, Uğur; Soydaş, Emine; Şahin, Ertan; Emrullahoğlu, Mustafa","A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study.","Organic & biomolecular chemistry","2016","14","31","7490","7494","10.1039/c6ob01099g","","","0.71073","MoKα","","0.112","0.0457","","","0.1014","0.1289","","","","","","0.998","","","","has coordinates","185652","2020-10-21","18:00:00",""
"7155196","11.82201","0.00013","19.9887","0.0002","23.1114","0.0003","90","","90","","90","","5461.38","0.11","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang","Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.","Organic & biomolecular chemistry","2016","14","30","7354","7360","10.1039/c6ob01215a","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.079","0.0812","","","","","","1.009","","","","has coordinates","185623","2020-10-21","18:00:00",""
"7155197","8.9592","0.0004","13.9166","0.0006","14.1101","0.0006","90","","92.4338","0.0013","90","","1757.68","0.13","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O5 S -","- C18 H16 Br N O5 S -","- C72 H64 Br4 N4 O20 S4 -","4","1","","Cronin, Sarah A.; Gutiérrez Collar, Aarón; Gundala, Sivaji; Cornaggia, Claudio; Torrente, Esther; Manoni, Francesco; Botte, Astrid; Twamley, Brendan; Connon, Stephen J.","The first catalytic asymmetric cycloadditions of imines with an enolisable anhydride.","Organic & biomolecular chemistry","2016","14","29","6955","6959","10.1039/c6ob00048g","","x-ray","1.54178","CuKα","","0.0296","0.0288","","","0.0767","0.0773","","","","","","1.072","","","","has coordinates","185659","2020-10-21","18:00:00",""
"7155198","10.5138","0.0001","14.5405","0.0002","19.6851","0.0003","90","","90","","90","","3009.38","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N P -","- C38 H40 N P -","- C152 H160 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0348","0.0338","","","0.0942","0.095","","","","","","1.022","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155199","10.6196","0.0001","22.1572","0.0002","26.8016","0.0003","90","","90","","90","","6306.43","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N P -","- C41 H40 N P -","- C328 H320 N8 P8 -","8","2","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0408","0.0393","","","0.1051","0.1066","","","","","","1.028","","","","has coordinates,has disorder","185651","2020-10-21","18:00:00",""
"7155200","10.5997","0.0003","14.5202","0.0004","21.027","0.0006","90","","90","","90","","3236.26","0.16","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N P -","- C41 H42 N P -","- C164 H168 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0382","0.0375","","","0.1033","0.1041","","","","","","1.032","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155201","24.8942","0.0005","24.8942","0.0005","24.8942","0.0005","90","","90","","90","","15427.5","0.5","150","2","150","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H80 N12 O4 -","- C72 H79.9992 N12 O3.9996 -","- C576 H639.994 N96 O31.9968 -","8","0.0833333","","Petryk, M.; Szymkowiak, J.; Gierczyk, B.; Spólnik, G; Popenda, Ł; Janiak, A.; Kwit, M.","Chiral, triformylphenol-derived salen-type [4 + 6] organic cages.","Organic & biomolecular chemistry","2016","14","31","7495","7499","10.1039/c6ob01429a","","","1.54184","CuKα","","0.1114","0.1104","","","0.2882","0.2918","","","","","","1.431","","","","has coordinates","185653","2020-10-21","18:00:00",""
"7155202","9.2519","0.0011","9.9263","0.0012","18.4119","0.0019","90","","90","","90","","1690.9","0.3","125","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Barrios Antúnez, Diego-Javier; Greenhalgh, Mark D.; Fallan, Charlene; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst.","Organic & biomolecular chemistry","2016","14","30","7268","7274","10.1039/c6ob01326k","","","1.54187","CuKα","","0.0264","0.026","","","0.0704","0.0708","","","","","","1.055","","","","has coordinates","185624","2020-10-21","18:00:00",""
"7155203","8.932","0.0015","6.9867","0.0012","27.957","0.005","90","","96.869","0.003","90","","1732.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0566","0.0475","","","0.1348","0.1442","","","","","","1.052","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155204","9.246","0.004","21.733","0.01","8.69","0.004","90","","99.084","0.006","90","","1724.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0919","0.0553","","","0.1231","0.1342","","","","","","0.931","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155205","11.7409","0.0003","11.8595","0.0003","11.9319","0.0003","64.089","0.003","82.18","0.002","86.755","0.002","1480.49","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O12 S -","- C32 H26 O12 S -","- C64 H52 O24 S2 -","2","1","","Zhao, Xia; Deng, Zhijie; Wei, Aoqi; Li, Boyang; Lu, Kui","Iodine-catalysed regioselective thiolation of flavonoids using sulfonyl hydrazides as sulfenylation reagents.","Organic & biomolecular chemistry","2016","14","30","7304","7312","10.1039/c6ob01006g","","x-ray","1.54184","CuKα","","0.046","0.0414","","","0.1071","0.1125","","","","","","1.051","","","","has coordinates","185626","2020-10-21","18:00:00",""
"7155206","7.0964","0.0005","11.9998","0.0008","14.4434","0.0011","90","","98.551","0.006","90","","1216.26","0.15","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethyl-11H-benzo[4,5]imidazo[1,2-a]indol-11-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Mai, Shaoyu; Zhao, Yingwei; Song, Qiuling","Chemoselective acylation of benzimidazoles with phenylacetic acids under different Cu catalysts to give fused five-membered N-heterocycles or tertiary amides.","Organic & biomolecular chemistry","2016","14","37","8685","8690","10.1039/c6ob01167e","","","0.71073","MoKα","","0.0793","0.0528","","","0.1149","0.1286","","","","","","1.051","","","","has coordinates","187195","2020-10-21","18:00:00",""
"7155207","7.106","0.006","6.266","0.006","22.6","0.02","90","","96.873","0.014","90","","999.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F N O2 -","- C11 H10 F N O2 -","- C44 H40 F4 N4 O8 -","4","1","","Zhu, Guohao; Qiu, Shineng; Xi, Yang; Ding, Yao; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","(IPr)CuF-catalyzed α-site regiocontrolled trans-hydrofluorination of ynamides.","Organic & biomolecular chemistry","2016","14","32","7746","7753","10.1039/c6ob01345g","","","0.71073","MoKα","","0.085","0.0654","","","0.2048","0.224","","","","","","1.067","","","","has coordinates","186489","2020-10-21","18:00:00",""
"7155208","4.9191","0.0002","6.2146","0.0002","13.1151","0.0006","90","","95.211","0.002","90","","399.27","0.03","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","5-bromo-4-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C14 H6 Br2 F2 N2 O6 -","2","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0709","0.0658","","","0.1519","0.1575","","","","","","1.088","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155209","10.6934","0.0004","9.7396","0.0003","7.4999","0.0002","90","","96.086","0.002","90","","776.71","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-fluoro-5-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","","0.71073","MoKα","","0.0347","0.0298","","","0.0758","0.0787","","","","","","1.101","","","","has coordinates,has disorder","186476","2020-10-21","18:00:00",""
"7155210","4.7733","0.0002","14.6188","0.0008","11.7159","0.0007","90","","93.404","0.002","90","","816.09","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","3-bromo-6-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0454","0.0308","","","0.0637","0.0674","","","","","","1.072","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155211","7.5275","0.0014","13.374","0.003","15.278","0.003","90","","90","","90","","1538.1","0.5","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","1","","Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.; Musolino, Stefania F.; Kerr, Ryan W. F.; Taylor, James E.; Slawin, Alexandra M. Z.; O'Riordan, Timothy J C; Macgregor, Stuart A.; Smith, Andrew D.","Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.","Organic & biomolecular chemistry","2016","14","38","8957","8965","10.1039/c6ob01557c","","","0.71075","MoKα","","0.0449","0.0373","","","0.0723","0.074","","","","","","0.918","","","","has coordinates","187175","2020-10-21","18:00:00",""
"7155212","8.0275","0.0014","11.093","0.002","17.321","0.003","90","","90","","90","","1542.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C64 H60 Cl4 N16 O4 -","4","1","","Chen, Long; Xing, Haotian; Zhang, Huaibin; Jiang, Zhong-Xing; Yang, Zhigang","Copper-catalyzed intermolecular chloroazidation of α,β-unsaturated amides.","Organic & biomolecular chemistry","2016","14","31","7463","7467","10.1039/c6ob01352j","","","0.71073","MoKα","","0.053","0.0404","","","0.0974","0.1061","","","","","","1.034","","","","has coordinates","185650","2020-10-21","18:00:00",""
"7155213","10.8827","0.0002","7.0798","0.0002","15.4121","0.0003","90","","100.53","0.0012","90","","1167.47","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N4 -","- C12 H9 Br N4 -","- C48 H36 Br4 N16 -","4","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0621","0.0522","","","0.1052","0.1128","","","","","","1.039","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155214","13.25","0.0007","4.9503","0.0003","15.2995","0.0008","90","","102.893","0.004","90","","978.22","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","0.78201","Synchrotron","","0.1039","0.0546","","","0.1233","0.1866","","","","","","1.153","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155215","13.262","0.005","5.685","0.002","25.48","0.009","90","","101.506","0.001","90","","1882.4","1.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br N4 -","- C24 H17 Br N4 -","- C96 H68 Br4 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0221","0.0215","","","0.0569","0.0575","","","","","","1.061","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155216","18.4725","0.0003","8.3873","0.0001","19.5557","0.0004","90","","90","","90","","3029.85","0.09","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 Br Cl N5 O -","- C28 H45 Br Cl N5 O -","- C112 H180 Br4 Cl4 N20 O4 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0436","0.0372","","","0.0987","0.1068","","","","","","1.047","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155217","11.2758","0.0002","13.2794","0.0002","14.0394","0.0003","65.8676","0.0007","83.1022","0.0009","65.9622","0.0007","1749.38","0.06","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br Cl N7 O0.5 -","- C40 H39 Br Cl N7 O0.5 -","- C80 H78 Br2 Cl2 N14 O -","2","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.1079","0.0716","","","0.1647","0.2119","","","","","","1.115","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155218","14.189","0.003","10.9261","0.0018","14.233","0.003","90","","93.14","0.005","90","","2203.2","0.8","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C94 H66 Br4 Cl6 N4 O12 S4 -","4","2","","Stark, Daniel G.; Young, Claire M.; O'Riordan, Timothy J C; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective isothiourea-catalysed trans-dihydropyridinone synthesis using saccharin-derived ketimines: scope and limitations.","Organic & biomolecular chemistry","2016","14","34","8068","8073","10.1039/c6ob01473a","","","0.71075","MoKα","","0.0565","0.0465","","","0.1089","0.1125","","","","","","0.918","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155219","5.3545","0.0014","11.656","0.003","15.876","0.004","90","","90","","90","","990.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br Cl O -","- C9 H10 Br Cl O -","- C36 H40 Br4 Cl4 O4 -","4","1","","Huang, Wei-Sheng; Chen, Li; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Zheng; Cui, Yu-Ming; Xu, Li-Wen","Catalytic asymmetric bromochlorination of aromatic allylic alcohols promoted by multifunctional Schiff base ligands.","Organic & biomolecular chemistry","2016","14","33","7927","7932","10.1039/c6ob01306f","","","0.71073","MoKα","","0.0316","0.0279","","","0.0666","0.0679","","","","","","1.063","","","","has coordinates","186487","2020-10-21","18:00:00",""
"7155220","9.621","0.003","14.256","0.005","8.097","0.003","90","","111.224","0.005","90","","1035.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","0.5","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0396","0.0324","","","0.0823","0.0867","","","","","","1.1","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155221","11.3995","0.0011","15.4075","0.0015","12.3398","0.0012","90","","97.817","0.002","90","","2147.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0467","0.0385","","","0.0974","0.1058","","","","","","1.029","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155222","7.188","0.0002","11.2966","0.0003","15.7477","0.0003","84.309","0.002","86.703","0.002","73.529","0.002","1219.62","0.05","150","0.7","150","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 B Cl O2 -","- C14 H10 B Cl O2 -","- C56 H40 B4 Cl4 O8 -","4","2","","Benhamou, Laure; Walker, Daniel W.; Bučar, Dejan-Krešimir; Aliev, Abil E.; Sheppard, Tom D.","Synthesis of substituted benzooxaborinin-1-ols via palladium-catalysed cyclisation of alkenyl- and alkynyl-boronic acids.","Organic & biomolecular chemistry","2016","14","34","8039","8043","10.1039/c6ob01419d","","x-ray","1.54184","CuKα","","0.0309","0.029","","","0.0776","0.0793","","","","","","1.026","","","","has coordinates","186480","2020-10-21","18:00:00",""
"7155223","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Kamimura, Akio; Tanaka, Toshiyuki; So, Masahiro; Itaya, Tomoyuki; Matsuda, Kantaro; Kawamoto, Takuji","A regioselective double Stille coupling reaction of bicyclic stannolanes.","Organic & biomolecular chemistry","2016","14","34","8109","8122","10.1039/c6ob01018k","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155224","12.596","0.004","5.504","0.0016","21.414","0.007","90","","100.229","0.004","90","","1461","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wei, Simin; Feng, Xiangqing; Du, Haifeng","A metal-free hydrogenation of 3-substituted 2H-1,4-benzoxazines.","Organic & biomolecular chemistry","2016","14","34","8026","8029","10.1039/c6ob01556e","","","0.71073","MoKα","","0.0596","0.0545","","","0.1216","0.1251","","","","","","1.139","","","","has coordinates","186483","2020-10-21","18:00:00",""
"7155225","8.7998","0.0004","13.332","0.0006","12.0001","0.0006","90","","110.314","0.006","90","","1320.28","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0564","0.0434","","","0.0972","0.104","","","","","","1.059","","","","has coordinates","186488","2020-10-21","18:00:00",""
"7155226","15.0431","0.0003","10.80301","0.00018","29.7705","0.0005","90","","96.8269","0.0017","90","","4803.72","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl3 N5 O8 -","- C48 H62 Cl3 N5 O8 -","- C192 H248 Cl12 N20 O32 -","4","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0776","0.0692","","","0.2014","0.2091","","","","","","1.074","","","","has coordinates,has disorder","186488","2020-10-21","18:00:00",""
"7155227","8.4388","0.0003","8.4196","0.0002","21.5892","0.0006","90","","99.574","0.002","90","","1512.58","0.08","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br6.13 Cl0.87 F2 N2 -","- C9 B Br6.1257 Cl0.8743 F2 N2 -","- C36 B4 Br24.5028 Cl3.4972 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0435","0.0277","","","0.0533","0.0566","","","","","","1.014","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155228","8.3531","0.0005","8.5259","0.0005","20.703","0.0015","90","","99.009","0.005","90","","1456.23","0.16","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br4 Cl3 F2 N2 -","- C9 B Br4 Cl3 F2 N2 -","- C36 B4 Br16 Cl12 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0483","0.0297","","","0.0512","0.0548","","","","","","1.03","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155229","8.775","0.002","9.17","0.003","9.71","0.003","98.378","0.017","106.86","0.02","105.71","0.02","698.2","0.4","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 B Br2 Cl5 F2 N2 -","- C9 B Br2 Cl5 F2 N2 -","- C18 B2 Br4 Cl10 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0443","0.0348","","","0.0822","0.0864","","","","","","1.055","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155230","12.0397","0.0003","9.5581","0.0002","21.472","0.0005","90","","105.766","0.001","90","","2377.97","0.1","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 B Cl4 F2 N2 -","- C27 H15 B Cl4 F2 N2 -","- C108 H60 B4 Cl16 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0656","0.0386","","","0.0774","0.0861","","","","","","1.006","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155231","10.0519","0.0009","10.7177","0.0009","11.8528","0.001","102.04","0.004","91.199","0.004","114.33","0.004","1129.73","0.17","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C21 H9 B Cl4 F2 N2 S3 -","- C21 H9 B Cl4 F2 N2 S3 -","- C42 H18 B2 Cl8 F4 N4 S6 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0497","0.0421","","","0.1253","0.1319","","","","","","1.071","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155232","26.1253","0.001","12.6428","0.0005","18.623","0.0007","90","","91.84","0.002","90","","6147.9","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 B Cl2 F2 N2 -","- C39 H25 B Cl2 F2 N2 -","- C312 H200 B8 Cl16 F16 N16 -","8","2","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","1.54184","CuKα","","0.0597","0.0435","","","0.1065","0.118","","","","","","1.013","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155233","9.911","0.0002","24.3651","0.0005","12.2192","0.0003","90","","110.907","0.001","90","","2756.45","0.11","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 B Cl2 F2 N2 S5 -","- C29.005 H15 B Cl2 F2 N2 S5.005 -","- C116.02 H60 B4 Cl8 F8 N8 S20.02 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.1278","0.1135","","","0.2844","0.2958","","","","","","1.058","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155234","14.6046","0.0011","18.958","0.0015","23.9068","0.0019","90","","90","","90","","6619.2","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N3 O3 P -","- C37 H42 N3 O3 P -","- C296 H336 N24 O24 P8 -","8","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","0.71073","MoKα","","0.2009","0.0649","","","0.0907","0.1088","","","","","","0.895","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155235","13.9411","0.0012","17.726","0.001","14.8278","0.001","90","","109.535","0.009","90","","3453.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H49 N3 O3 P -","- C33 H49 N3 O3 P -","- C132 H196 N12 O12 P4 -","4","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","1.54178","CuKα","","0.1071","0.0858","","","0.2281","0.2522","","","","","","1.038","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155236","13.218","0.002","16.657","0.003","16.344","0.003","90","","92.527","0.003","90","","3595","1.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H32 Br N5 O3 -","- C43 H32 Br N5 O3 -","- C172 H128 Br4 N20 O12 -","4","2","","Xie, Jin; Xing, Xiao-Yu; Sha, Feng; Wu, Zhi-Yan; Wu, Xin-Yan","Enantioselective synthesis of spiro[indoline-3,4'-pyrano[2,3-c]pyrazole] derivatives via an organocatalytic asymmetric Michael/cyclization cascade reaction.","Organic & biomolecular chemistry","2016","14","35","8346","8355","10.1039/c6ob01256f","","","0.71073","MoKα","","0.1338","0.0474","","","0.0811","0.1057","","","","","","0.866","","","","has coordinates","186475","2020-10-21","18:00:00",""
"7155237","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155238","11.998","0.003","8.74","0.002","18.751","0.005","90","","104.393","0.006","90","","1904.6","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14R,16R,E)-16-(tert-butyl)-14-methyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","2","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.1626","0.0701","","","0.1336","0.1757","","","","","","0.987","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155239","5.615","0.003","10.654","0.005","35.955","0.017","90","","90","","90","","2150.9","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,14R,16S,E)-16-(tert-butyl)-3,8,14-trimethyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C21 H37 N O3 -","- C21 H37 N O3 -","- C84 H148 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0617","0.0445","","","0.0607","0.0628","","","","","","1.618","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155240","10.866","0.005","5.196","0.002","18.617","0.01","90","","106.703","0.011","90","","1006.8","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H","Total synthesis based on the originally claimed structure of mucosin.","Organic & biomolecular chemistry","2016","14","36","8433","8437","10.1039/c6ob01511e","","","0.71073","MoKα","","0.1009","0.0854","","","0.215","0.2246","","","","","","1.033","","","","has coordinates,has disorder","187190","2020-10-21","18:00:00",""
"7155241","11.2287","0.0003","21.5577","0.0006","7.6682","0.0002","90","","90","","90","","1856.2","0.09","115","2","115","2","","","","","","","","2","P c a 21","P 2c -2ac","29","naphtho[1,2-i]pentahelicene","napthto[1,2-s]picene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","","0.71073","MoKα","","0.0385","0.0344","","","0.0842","0.0867","","","","","","1.052","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155242","9.601","0.0012","14.5905","0.0018","20.173","0.003","82.894","0.002","81.824","0.002","77.999","0.002","2723.1","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","(2-aminobiphenyl)(xantphos)palladium(II) mesylate","","","- C55 H51 Cl6 N O4 P2 Pd S -","- C55 H51 Cl6 N O4 P2 Pd S -","- C110 H102 Cl12 N2 O8 P4 Pd2 S2 -","2","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.1022","0.0808","","","0.2234","0.2373","","","","","","1.06","","","","has coordinates,has disorder","186482","2020-10-21","18:00:00",""
"7155243","9.8138","0.0001","22.8364","0.0003","9.0937","0.0001","90","","99.9067","0.0007","90","","2007.62","0.04","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-bis(trifluoromethyl)naphtho[1,2-g]chrysene","","- C28 H14 F6 -","- C28 H14 F6 -","- C112 H56 F24 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.0527","0.0346","","","0.0752","0.0826","","","","","","1.011","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155244","18.6683","0.0005","10.1255","0.0002","18.9205","0.0013","90","","93.979","0.007","90","","3567.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O -","- C22 H19 Cl N2 O -","- C176 H152 Cl8 N16 O8 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Reid, Iain H.; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Reductive conjugate addition nitro-Mannich route for the stereoselective synthesis of 1,2,3,4-tetrahydroquinoxalines.","Organic & biomolecular chemistry","2016","14","35","8270","8277","10.1039/c6ob01530a","","","0.71075","MoKα","","0.0522","0.0386","","","0.0866","0.0924","","","","","","1.035","","","","has coordinates","186477","2020-10-21","18:00:00",""
"7155245","4.6505","0.0005","13.4476","0.0013","16.1385","0.0016","90","","90","","90","","1009.27","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O Se2 -","- C11 H8 O Se2 -","- C44 H32 O4 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1161","0.0783","","","0.1945","0.2135","","","","","","1.208","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155246","12.201","0.004","6.3287","0.0016","19.477","0.005","90","","96.736","0.01","90","","1493.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 Se2 -","- C15 H17 N O2 Se2 -","- C60 H68 N4 O8 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1199","0.0512","","","0.0816","0.1005","","","","","","1.07","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155247","9.8351","0.0006","19.0381","0.0012","20.4995","0.0013","90","","90","","90","","3838.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 1-((2R,3R)-4-methylene-5-oxo-3-phenyltetrahydrofuran-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rattan, Sunita; Rawal, Ravindra K.; Singh, Virender","Natural product inspired design and synthesis of β-carboline and γ-lactone based molecular hybrids.","Organic & biomolecular chemistry","2016","14","34","8154","8166","10.1039/c6ob01216g","","","0.71073","MoKα","","0.0844","0.0652","","","0.1571","0.1646","","","","","","1.095","","","","has coordinates","186484","2020-10-21","18:00:00",""
"7155248","9.2919","0.0004","11.041","0.0005","19.247","0.001","90","","100.12","0.0016","90","","1943.86","0.16","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 Cl3 N5 O8 -","- C30 H50 Cl3 N5 O8 -","- C60 H100 Cl6 N10 O16 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1096","0.0638","","","0.169","0.1975","","","","","","1.019","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155249","10.4185","0.0004","15.6536","0.0006","18.156","0.0008","90","","90","","90","","2961","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C108 H176 N16 O36 -","4","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","1.54178","CuKα","","0.041","0.0351","","","0.0828","0.0857","","","","","","1.057","","","","has coordinates","187191","2020-10-21","18:00:00",""
"7155250","10.7226","0.0016","10.6558","0.0017","21.682","0.003","90","","91.429","0.005","90","","2476.6","0.6","250","2","250.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 N6 O11 -","- C38 H62 N6 O11 -","- C76 H124 N12 O22 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1625","0.0696","","","0.1443","0.1673","","","","","","0.792","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155251","11.8249","0.0004","13.3798","0.0004","13.3981","0.0005","79.783","0.002","77.825","0.002","78.013","0.002","2007.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","2","","Huang, Qianwen; Zheng, Hanliang; Liu, Shuiyou; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Direct access to 2-amino-5-azidomethylfurans through palladium-catalyzed azidative cycloisomerization of homoallenyl amides.","Organic & biomolecular chemistry","2016","14","36","8557","8563","10.1039/c6ob01491g","","","0.71073","MoKα","","0.068","0.0475","","","0.1226","0.1427","","","","","","1.02","","","","has coordinates","187188","2020-10-21","18:00:00",""
"7155252","26.518","0.014","6.018","0.003","18.911","0.008","90","","134.5","0.02","90","","2153","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C72 H104 N24 O24 -","8","1","","Shao, Ying; Tong, Jingjing; Zhao, Yanwei; Zheng, Hao; Ma, Liang; Ma, Meihua; Wan, Xiaobing","[3 + 2] cycloaddition and subsequent oxidative dehydrogenation between alkenes and diazo compounds: a simple and direct approach to pyrazoles using TBAI/TBHP.","Organic & biomolecular chemistry","2016","14","36","8486","8492","10.1039/c6ob01522k","","","0.71073","MoKα","","0.1052","0.0656","","","0.1744","0.2175","","","","","","0.982","","","","has coordinates","187189","2020-10-21","18:00:00",""
"7155253","5.168","0.0005","10.0269","0.0012","32.073","0.004","90","","90","","90","","1662","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C60 H80 Br4 N4 O16 S4 -","4","1","","Feng, Bo-Xu; Wang, Bin; Li, Xin","Asymmetric additions of thioglycolates and N-Boc aldimines catalyzed by a bifunctional tertiary-amine squaramide.","Organic & biomolecular chemistry","2016","14","39","9206","9209","10.1039/c6ob01645f","","","0.71073","MoKα","","0.0198","0.0186","","","0.0443","0.0444","","","","","","1.024","","","","has coordinates","187181","2020-10-21","18:00:00",""
"7155254","10.4343","0.0004","14.6016","0.0005","13.8826","0.0004","90","","92.748","0.002","90","","2112.69","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N O5 S -","- C24 H16 Br N O5 S -","- C96 H64 Br4 N4 O20 S4 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.1298","0.0527","","","0.1234","0.1559","","","","","","1.024","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155255","5.2728","0.0002","25.33","0.0007","11.4784","0.0004","90","","99.154","0.002","90","","1513.53","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.0683","0.0434","","","0.124","0.1494","","","","","","1.083","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155256","7.4138","0.0004","22.8374","0.001","9.5317","0.0005","90","","97.793","0.004","90","","1598.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0588","0.0439","","","0.0971","0.1067","","","","","","1.017","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155257","13.5746","0.0016","6.6256","0.0004","13.5089","0.0016","90","","123.176","0.017","90","","1016.9","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0593","0.0445","","","0.1119","0.1272","","","","","","1.025","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155258","9.0952","0.0002","37.2652","0.0006","24.0116","0.0005","90","","107.621","0.002","90","","7756.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25.33333 H25 N1.66667 O13 -","- C25.3333 H25 N1.66667 O13 -","- C304 H300 N20 O156 -","12","3","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0753","0.0569","","","0.1314","0.1424","","","","","","1.047","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155259","7.6974","0.0005","9.8515","0.0007","10.6292","0.0009","91.428","0.007","93.661","0.007","96.076","0.006","799.45","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","1","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","1.5418","CuKα","","0.07","0.0552","","","0.1413","0.1515","","","","","","0.963","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155260","4.672","0.004","5.359","0.004","67.02","0.05","90","","90","","90","","1678","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","Kuilya, Tapan Kumar; Goswami, Rajib Kumar","Total synthesis of cananginone C and structural revision of debilisone A.","Organic & biomolecular chemistry","2016","14","37","8789","8799","10.1039/c6ob01671e","","","0.71073","MoKα","","0.1322","0.0478","","","0.0595","0.076","","","","","","0.925","","","","has coordinates","188303","2020-10-21","18:00:00",""
"7155261","12.1129","0.00015","10.43581","0.00014","11.94338","0.00015","90","","90.0578","0.0013","90","","1509.74","0.03","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-diethyl ((1R,5S,6S)-2-oxo-6-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl)phosphonate","","- C15 H19 O5 P -","- C15 H19 O5 P -","- C60 H76 O20 P4 -","4","1","","Lloyd, Matthew G.; Taylor, Richard J. K.; Unsworth, William P.","Phosphorylated cyclopropanes in the synthesis of α-alkylidene-γ-butyrolactones: total synthesis of (±)-savinin, (±)-gadain and (±)-peperomin E.","Organic & biomolecular chemistry","2016","14","38","8971","8988","10.1039/c6ob01527a","","x-ray","0.71073","MoKα","","0.0368","0.0328","","","0.0859","0.0886","","","","","","1.08","","","","has coordinates,has disorder","188274","2020-10-21","18:00:00",""
"7155262","7.1086","0.0014","6.9376","0.0014","12.442","0.003","90","","94.573","0.003","90","","611.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C26 H26 Cl2 O6 -","2","1","","Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B.","Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A.","Organic & biomolecular chemistry","2016","14","37","8832","8837","10.1039/c6ob01686c","","","0.71073","MoKα","","0.0535","0.0418","","","0.0965","0.104","","","","","","1.013","","","","has coordinates","188298","2020-10-21","18:00:00",""
"7155263","8.2425","0.0011","8.4394","0.001","13.236","0.002","90.149","0.011","100.435","0.012","104.134","0.011","877","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","2","","Laborde, Julie; Deraeve, Céline; Duhayon, Carine; Pratviel, Geneviève; Bernardes-Génisson, Vania","Ethionamide biomimetic activation and an unprecedented mechanism for its conversion into active and non-active metabolites.","Organic & biomolecular chemistry","2016","14","37","8848","8858","10.1039/c6ob01561a","","","1.5418","CuKα","","0.0417","0.0354","","0.0428","0.0425","0.0425","","","","","","1.0588","","","","has coordinates","188299","2020-10-21","18:00:00",""
"7155264","13.739","0.005","5.908","0.005","17.319","0.005","90","0.005","91.208","0.005","90","0.005","1405.5","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Aggarwal, Trapti; Kotla, Siva K Reddy; Verma, Akhilesh K.","Palladium meets copper: one-pot tandem synthesis of pyrido fused heterocycles via Sonogashira conjoined electrophilic cyclization.","Organic & biomolecular chemistry","2016","14","38","9063","9071","10.1039/c6ob01539e","","","0.71073","MoKα","","0.0823","0.0514","","","0.1235","0.1365","","","","","","1.038","","","","has coordinates","188275","2020-10-21","18:00:00",""
"7155265","14.1684","0.0003","6.6657","0.0002","47.1845","0.0014","90","","91.503","0.002","90","","4454.7","0.2","292.87","0.11","292.87","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21 I N2 O7 S -","- C19 H21 I N2 O7 S -","- C152 H168 I8 N16 O56 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.0536","0.0377","","","0.0945","0.1027","","","","","","1.061","","","","has coordinates","188282","2020-10-21","18:00:00",""
"7155266","6.7507","0.0004","14.1829","0.0007","43.847","0.003","90","","90","","90","","4198.1","0.4","292.8","0.2","292.8","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H21 I N2 O6 S -","- C18 H21 I N2 O6 S -","- C144 H168 I8 N16 O48 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.1043","0.0597","","","0.165","0.1827","","","","","","1.097","","","","has coordinates,has disorder","188282","2020-10-21","18:00:00",""
"7155267","5.1495","0.0002","9.3429","0.0003","27.7278","0.0008","90","","90","","90","","1334.02","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol","","- C13 H10 Cl F5 O S -","- C13 H10 Cl F5 O S -","- C52 H40 Cl4 F20 O4 S4 -","4","1","","Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François","Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.","Organic & biomolecular chemistry","2016","14","37","8764","8780","10.1039/c6ob01663d","","x-ray","1.54178","CuKα","","0.0196","0.0196","","","0.0522","0.0522","","","","","","1.097","","","","has coordinates","188297","2020-10-21","18:00:00",""
"7155268","7.7594","0.0012","19.459","0.003","11.8044","0.0019","90","","106.142","0.002","90","","1712.1","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H18 N2 O5.5 -","- C19.5 H17.5 N2 O5.5 -","- C78 H70 N8 O22 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.71073","MoKα","","0.0552","0.0416","","","0.0971","0.1051","","","","","","1.024","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7155269","10.843","0.003","19.28","0.005","11.337","0.004","90","","111.215","0.005","90","","2209.4","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.7107","MoKα","","0.0975","0.0815","","","0.2014","0.2167","","","","","","1.147","","","","has coordinates","187177","2020-10-21","18:00:00",""
"7155270","6.4408","0.0008","16.415","0.002","6.882","0.0007","90","","93.991","0.01","90","","725.84","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Methyl-1-oxa-7,8-diazaspiro[4.4]nona-3,8-dien-6-one","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","De Crescentini, L.; Perrulli, F. R.; Favi, G.; Santeusanio, S.; Giorgi, G.; Attanasi, O. A.; Mantellini, F.","Reactions of 1,2-diaza-1,3-butadienes with propargyl alcohol as an approach to novel bi-heterocyclic systems.","Organic & biomolecular chemistry","2016","14","37","8674","8678","10.1039/c6ob01595f","","","0.71073","MoKα","","0.0724","0.0473","","","0.0968","0.1132","","","","","","1.038","","","","has coordinates","188301","2020-10-21","18:00:00",""
"7155271","6.5491","0.0005","18.582","0.0013","12.9625","0.0009","90","","93.361","0.001","90","","1574.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(8-methoxy-4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocin-11-yl)(phenyl)methanone","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Sastry, K. N. Visweswara; Routhu, Sunitha Rani; Datta, Soma Gupta; Nagesh, Narayana; Babu, Bathini Nagendra; Nanubolu, Jagadeesh Babu; Kumar, C. Ganesh; Maurya, Ram Awatar; Kamal, Ahmed","Synthesis, DNA binding affinity and anticancer activity of novel 4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocines.","Organic & biomolecular chemistry","2016","14","39","9294","9305","10.1039/c6ob01077f","","","0.71073","MoKα","","0.0686","0.0625","","","0.1283","0.1315","","","","","","1.237","","","","has coordinates,has disorder","188277","2020-10-21","18:00:00",""
"7155272","9.4858","0.0012","16.647","0.002","20.977","0.002","90","","90","","90","","3312.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H31 B N4 O2 -","- C43 H31 B N4 O2 -","- C172 H124 B4 N16 O8 -","4","1","","Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.","The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.","Organic & biomolecular chemistry","2016","14","46","10778","10782","10.1039/c6ob01623e","","","1.54184","CuKα","","0.0326","0.0313","","","0.0819","0.0831","","","","","","1.034","","","","has coordinates","190251","2020-10-21","18:00:00",""
"7155273","17.8575","0.0015","17.3429","0.0016","11.9409","0.0011","90","","104.165","0.002","90","","3585.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 S -","- C18 H16 Br N3 O2 S -","- C144 H128 Br8 N24 O16 S8 -","8","2","","Fan, Wei; Li, Yan-Rong; Jiang, Bo; Li, Guigen","Cascade bicyclization of triethylammonium thiolates with hydrazines: efficient access to pyrazolo[3,4-c]quinolines.","Organic & biomolecular chemistry","2016","14","38","9080","9087","10.1039/c6ob01728b","","","0.71073","MoKα","","0.0935","0.0393","","","0.0473","0.0505","","","","","","1.077","","","","has coordinates","188276","2020-10-21","18:00:00",""
"7155274","12.8359","0.0008","4.9611","0.0002","26.202","0.0019","90","","97.21","0.006","90","","1655.35","0.17","130","0.2","130","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl","","- C33 H56 O5 -","- C33 H56 O5 -","- C66 H112 O10 -","2","1","","van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J.","Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle.","Organic & biomolecular chemistry","2016","14","39","9267","9277","10.1039/c6ob01781a","","","1.5418","CuKα","","0.0865","0.0658","","","0.1806","0.2006","","","","","","1.006","","","","has coordinates","188279","2020-10-21","18:00:00",""
"7155275","16.385","0.002","13.037","0.002","8.2869","0.0014","90","","103.74","0.006","90","","1719.5","0.4","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 S2 -","- C19 H15 N O2 S2 -","- C76 H60 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0623","0.0381","","","0.076","0.0844","","","","","","1.0511","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155276","7.6546","0.0008","29.982","0.003","8.7107","0.001","90","","108.845","0.004","90","","1891.9","0.4","187","2","187.23","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Br2 N O2 S2 -","- C19 H13 Br2 N O2 S2 -","- C76 H52 Br8 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0434","0.0318","","","0.0571","0.0603","","","","","","1.0694","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155277","13.122","0.006","12.993","0.006","7.922","0.004","90","","103.66","0.012","90","","1312.5","1.1","140","2","140.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.1293","0.059","","","0.1061","0.1284","","","","","","1.062","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155278","9.6173","0.0005","9.7573","0.0005","12.8363","0.0007","90","","100.175","0.002","90","","1185.6","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzyl-3-hydroxyindolin-2-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","1.54178","CuKα","","0.0384","0.0336","","","0.0962","0.103","","","","","","0.659","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155279","10.952","0.003","11.34","0.004","10.721","0.003","90","","99.771","0.007","90","","1312.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-3-(3-methylbenzyl)indolin-2-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","0.71073","MoKα","","0.0806","0.0469","","","0.1232","0.1432","","","","","","0.933","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155280","10.743","0.0009","16.6008","0.0014","6.9203","0.0007","90","","100.069","0.005","90","","1215.17","0.19","298","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Hossian, Asik; Jana, Ranjan","Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","41","9768","9779","10.1039/c6ob01758d","","","0.71073","MoKα","","0.0772","0.0468","","","0.1185","0.1364","","","","","","1.052","","","","has coordinates","188285","2020-10-21","18:00:00",""
"7155281","6.4411","0.0005","16.0503","0.0012","30.612","0.003","90","","90","","90","","3164.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","","Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.","Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.","Organic & biomolecular chemistry","2016","14","39","9322","9330","10.1039/c6ob01591c","","x-ray","0.71073","MoKα","","0.1353","0.081","","","0.162","0.1865","","","","","","1.075","","","","has coordinates","188281","2020-10-21","18:00:00",""
"7155282","13.0766","0.0003","8.0857","0.0002","14.076","0.0004","90","","90.35","0.002","90","","1488.28","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl2 O4 -","- C15 H14 Cl2 O4 -","- C60 H56 Cl8 O16 -","4","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0445","0.0353","","","0.0955","0.1005","","","","","","1.046","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155283","7.865","0.0011","8.607","0.0011","10.2615","0.0015","92.788","0.006","112.186","0.006","105.046","0.004","612.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C30 H22 Br2 O4 -","2","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0564","0.04","","","0.0997","0.1076","","","","","","1.02","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155284","9.018","0.002","12.159","0.003","14.878","0.004","107.953","0.002","95.582","0.002","107.978","0.003","1442.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 B F3 N2 O1.5 S -","- C14 H11 B F3 N2 O1.5 S -","- C56 H44 B4 F12 N8 O6 S4 -","4","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.067","0.043","","","0.1081","0.1199","","","","","","0.886","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7155285","17.561","0.006","16.385","0.005","23.157","0.008","90","","103.246","0.005","90","","6486","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 B F6 N3 O -","- C30 H46 B F6 N3 O -","- C240 H368 B8 F48 N24 O8 -","8","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.1031","0.0763","","","0.2254","0.2461","","","","","","1.082","","","","has coordinates","188305","2020-10-21","18:00:00",""
"7155286","12.0073","0.0004","5.9225","0.0002","13.6415","0.0004","90","","109.584","0.001","90","","913.97","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","K071","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Khan, Ismat Ullah; Kattela, Shivashankar; Hassan, Abbas; Correia, Carlos Roque Duarte","Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone.","Organic & biomolecular chemistry","2016","14","40","9476","9480","10.1039/c6ob01892k","","","1.54178","CuKα","","0.0402","0.0402","","","0.098","0.0981","","","","","","1.089","","","","has coordinates,has disorder","188304","2020-10-21","18:00:00",""
"7155287","5.1845","0.0007","11.6355","0.0015","16.143","0.002","90","","95.867","0.003","90","","968.7","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.0396","0.0329","","","0.0928","0.0969","","","","","","1.075","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155288","7.9885","0.0019","10.68","0.003","12.967","0.003","90","","90.113","0.006","90","","1106.3","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.057","0.0551","","","0.1443","0.1468","","","","","","1.102","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155290","7.4819","0.0003","12.1332","0.0005","25.226","0.0008","90","","90","","90","","2290","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amide ester","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C100 H104 N8 O24 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0538","0.0447","","","0.1018","0.1063","","","","","","1.074","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155291","9.0934","0.0004","10.9932","0.0004","25.0614","0.0014","90","","90","","90","","2505.3","0.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amine Ester","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0609","0.051","","","0.128","0.1401","","","","","","1.056","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155292","14.2702","0.0011","14.2594","0.0007","22.3948","0.0015","90","","90","","90","","4557","0.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Aminoalcohol","Aminoalcohol","","- C48 H52 N4 O7 S2 -","- C48 H52 N4 O7 S2 -","- C192 H208 N16 O28 S8 -","4","0.5","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.71073","MoKα","","0.0908","0.0626","","","0.1576","0.1861","","","","","","1.038","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155293","9.7279","0.0017","11.657","0.002","22.965","0.004","76.436","0.003","80.414","0.003","70.405","0.003","2373.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate","","- C26 H20 F4 N2 O4 -","- C26 H20 F4 N2 O4 -","- C104 H80 F16 N8 O16 -","4","2","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1051","0.0717","","","0.2042","0.2363","","","","","","1.041","","","","has coordinates,has disorder","188308","2020-10-21","18:00:00",""
"7155294","7.3604","0.0004","9.3854","0.0006","12.8395","0.001","95.461","0.004","101.655","0.004","105.055","0.003","828.57","0.1","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","(2-(2-Benzamidophenyl)-4,5-dihydrooxazol-5-yl)methyl acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1379","0.0723","","","0.1438","0.1703","","","","","","1.029","","","","has coordinates","188308","2020-10-21","18:00:00",""
"7155295","12.3506","0.0005","15.093","0.0006","17.7124","0.0007","90","","100.508","0.002","90","","3246.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 F N2 O4 -","- C39 H35 F N2 O4 -","- C156 H140 F4 N8 O16 -","4","1","","Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao","A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.","Organic & biomolecular chemistry","2016","14","43","10157","10160","10.1039/c6ob01907b","","","0.71073","MoKα","","0.1551","0.0818","","","0.2286","0.2925","","","","","","1.036","","","","has coordinates","188292","2020-10-21","18:00:00",""
"7155296","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155297","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155298","10.0376","0.00018","11.6437","0.0002","18.2329","0.0003","90","","90","","90","","2130.97","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O3 P -","- C24 H23 N2 O3 P -","- C96 H92 N8 O12 P4 -","4","1","","Lin, Shaoquan; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of α,α-disubstituted α-amino acids via direct catalytic asymmetric addition of acetonitrile to α-iminoesters.","Organic & biomolecular chemistry","2016","14","41","9725","9730","10.1039/c6ob01874b","","","1.54187","CuKα","","0.0706","0.0653","","","0.1508","0.1523","","","","","","1.277","","","","has coordinates","188286","2020-10-21","18:00:00",""
"7155299","10.877","0.005","11.117","0.005","11.854","0.005","97.983","0.005","103.313","0.005","94.203","0.005","1373.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H24 N2 O2 -","- C39 H24 N2 O2 -","- C78 H48 N4 O4 -","2","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.0747","0.0516","","","0.1264","0.1413","","","","","","1.019","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155300","9.5058","0.001","16.1683","0.0016","17.7882","0.0017","90","","93.27","0.003","90","","2729.5","0.5","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H21 F3 N2 -","- C38 H21 F3 N2 -","- C152 H84 F12 N8 -","4","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.099","0.0621","","","0.1757","0.1944","","","","","","1.289","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155301","19.5798","0.0005","10.5855","0.0002","30.2255","0.0008","90","","100.449","0.002","90","","6160.7","0.3","140","2","140","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C56 H82 Cl4 O14 -","- C56 H82 Cl4 O14 -","- C224 H328 Cl16 O56 -","4","0.5","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0508","0.0383","","","0.0933","0.0993","","","","","","1.027","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155302","11.519","0.0003","12.8094","0.0005","15.5844","0.0004","79.044","0.003","77.462","0.002","71.732","0.003","2112.99","0.12","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H52 Cl4 O15.5 -","- C38 H45.5 Cl4 O15.3 -","- C76 H91 Cl8 O30.6 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.1377","0.0743","","","0.191","0.2403","","","","","","1.041","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155303","13.6713","0.0005","13.6859","0.0004","15.8507","0.0005","87.748","0.003","71.565","0.003","84.007","0.003","2798.1","0.17","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 Cl4 O15 -","- C49.1 H58.15 Cl4 O14.55 -","- C98.2 H116.3 Cl8 O29.1 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0953","0.0671","","","0.1565","0.1718","","","","","","1.046","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155304","12.3214","0.0006","11.6802","0.0005","15.2837","0.0006","90","","107.433","0.004","90","","2098.54","0.17","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 O5 -","- C24 H22 Cl2 O5 -","- C96 H88 Cl8 O20 -","4","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0584","0.0382","","","0.0776","0.0832","","","","","","1.028","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155305","11.799","0.008","10.489","0.006","17.066","0.012","90","","105.461","0.012","90","","2036","2","150","2","150","2","","","","","","","NO","4","P 1 21/c 1","-P 2ybc","14","Fused Indeno Pyridine","1-(1-phenyl-3-p-tolyl-1H-indeno[2,1-c]pyridin-2(9H)-yl)ethanone","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1002","0.0577","","","0.1312","0.151","","","","","","0.731","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155306","12.523","0.013","9.952","0.01","16.598","0.018","90","","107.466","0.016","90","","1973","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1085","0.0714","","","0.1708","0.1943","","","","","","0.655","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155307","13.729","0.002","8.3619","0.0009","14.594","0.003","90","","114.96","0.02","90","","1518.9","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H55 N O Se -","- C35 H55 N O Se -","- C70 H110 N2 O2 Se2 -","2","1","","Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman","Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.","Organic & biomolecular chemistry","2016","14","43","10238","10248","10.1039/c6ob01938b","","","1.54184","CuKα","","0.1157","0.0895","","","0.228","0.2644","","","","","","1.046","","","","has coordinates","188293","2020-10-21","18:00:00",""
"7155308","8.0194","0.0005","16.8849","0.0011","20.7855","0.0013","90","","90","","90","","2814.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl3 N2 O3 S -","- C31 H23 Cl3 N2 O3 S -","- C124 H92 Cl12 N8 O12 S4 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic enantioselective cascade Michael/cyclization reaction of 3-isothiocyanato oxindoles with exocyclic α,β-unsaturated ketones en route to 3,2'-pyrrolidinyl bispirooxindoles.","Organic & biomolecular chemistry","2016","14","43","10175","10179","10.1039/c6ob02187e","","","0.71073","MoKα","","0.0386","0.0325","","","0.0683","0.0705","","","","","","1.083","","","","has coordinates","188288","2020-10-21","18:00:00",""
"7155309","10.4127","0.0004","10.9678","0.0004","12.8544","0.0005","81.329","0.002","89.605","0.002","65.632","0.001","1319.47","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.05","0.0429","","","0.1085","0.1143","","","","","","1.055","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155310","10.8601","0.0016","56.18","0.008","10.8603","0.0016","90","","114.63","0.001","90","","6023.2","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H35 N O6 -","- C37 H35 N O6 -","- C296 H280 N8 O48 -","8","4","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.0312","0.0309","","","0.0783","0.0786","","","","","","1.074","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155311","12.1869","0.0005","14.43","0.0006","12.8949","0.0005","90","","115.941","0.0017","90","","2039.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Baral, Ek Raj; Sharma, Kavita; Akhtar, Muhammad Saeed; Lee, Yong Rok","A catalyst- and solvent-free thermal multicomponent approach for the construction of diverse and polysubstituted 2-aminopyridines and their antibacterial activity.","Organic & biomolecular chemistry","2016","14","43","10285","10297","10.1039/c6ob02015a","","","0.71073","MoKα","","0.0866","0.0471","","","0.1063","0.1242","","","","","","1.024","","","","has coordinates","188295","2020-10-21","18:00:00",""
"7155312","4.7439","0.0008","16.18","0.003","18.262","0.003","90","","90","","90","","1401.7","0.4","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","0.71073","MoKα","","0.1181","0.0446","","","0.0903","0.1179","","","","","","1.003","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155313","8.2579","0.0005","16.2062","0.001","21.6169","0.0013","90","","90","","90","","2893","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C144 H120 Cl8 N16 O8 -","8","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","1.54178","CuKα","","0.0679","0.0384","","","0.1133","0.1207","","","","","","1.05","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155314","11.819","0.005","10.742","0.003","12.543","0.005","90","","113.26","0.005","90","","1463","0.9","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0694","0.0603","","","0.134","0.1403","","","","","","1.122","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155315","10.616","0.004","18.469","0.007","15.306","0.006","90","","100.612","0.007","90","","2950","2","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0516","0.0491","","","0.1214","0.1236","","","","","","1.072","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155316","25.813","0.005","19.94","0.004","27.557","0.006","90","","101.78","0.03","90","","13885","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H80 F12 N10 O8 P2 -","- C126 H80 F12 N10 O8 P2 -","- C504 H320 F48 N40 O32 P8 -","4","1","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1595","0.1101","","","0.2757","0.3004","","","","","","1.334","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155317","31.334","0.004","31.334","0.004","27.064","0.004","90","","90","","120","","23012","5","173.15","","173.15","","","","","","","","","6","R -3","-R 3","148","","","","- C128 H82 F12 N10 O8 P2 -","- C128 H82 F12 N10 O8 P2 -","- C1152 H738 F108 N90 O72 P18 -","9","","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1172","0.1049","","","0.2751","0.2806","","","","","","1.731","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155318","8.4221","0.0003","9.777","0.0003","11.8865","0.0004","101.423","0.001","98.231","0.001","110.96","0.001","871.07","0.05","290","2","290","2","","","","","","","","4","P 1","P 1","1","butyl iodo methylphenanthren yl selane","butyl(10- iodo-7- methylphenanthren-9- yl) selane","","- C19 H19 I Se -","- C19 H19 I Se -","- C38 H38 I2 Se2 -","2","2","","Grimaldi, Tamiris B.; Lutz, Guilherme; Back, Davi F.; Zeni, Gilson","(Biphenyl-2-alkyne) derivatives as common precursors for the synthesis of 9-iodo-10-organochalcogen-phenanthrenes and 9-organochalcogen-phenanthrenes.","Organic & biomolecular chemistry","2016","14","44","10415","10426","10.1039/c6ob01807f","","","0.71073","MoKα","","0.052","0.036","","","0.0847","0.0919","","","","","","1.025","","","","has coordinates","190262","2020-10-21","18:00:00",""
"7155319","8.473","0.002","19.517","0.004","7.043","0.002","90","","102.04","0.03","90","","1139.1","0.5","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Wang, Ying; Wang, Yang; Jiang, Kai; Zhang, Qian; Li, Dong","Transition-metal-free oxidative C5 C-H-halogenation of 8-aminoquinoline amides using sodium halides.","Organic & biomolecular chemistry","2016","14","43","10180","10184","10.1039/c6ob02079h","","","1.54056","CuKa","","0.0594","0.0432","","","0.0964","0.1026","","","","","","1.054","","","","has coordinates","188294","2020-10-21","18:00:00",""
"7155320","10.5659","0.0003","13.366","0.0004","20.8146","0.0004","84.956","0.002","76.05","0.002","77.06","0.002","2778.58","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 O S -","- C33 H28 N4 O S -","- C132 H112 N16 O4 S4 -","4","2","","Grolleau, Jérémie; Gohier, Frédéric; Cabanetos, Clément; Allain, Magali; Legoupy, Stéphanie; Frère, Pierre","Syntheses via a direct arylation method of push-pull molecules based on triphenylamine and 3-cyano-4-hexyloxythiophene moieties.","Organic & biomolecular chemistry","2016","14","44","10516","10522","10.1039/c6ob02036d","","x-ray","1.54184","CuKα","","0.0653","0.0538","","","0.1434","0.1554","","","","","","1.074","","","","has coordinates","190263","2020-10-21","18:00:00",""
"7155321","7.367","0.0003","12.1881","0.0003","21.7372","0.0005","90","","90","","90","","1951.78","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,1R,6R)-tert-butyl 6'-chloro-2'-oxo-6,6a-dihydro-1H-spiro[cyclopropa[a]indene-1,3'-indoline]-1'-carboxylate","","- C22 H19 Cl N O3 -","- C22 H19 Cl N O3 -","- C88 H76 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0577","0.0474","","","0.1366","0.1482","","","","","","1.066","","","","has coordinates,has disorder","190260","2020-10-21","18:00:00",""
"7155322","11.3609","0.0003","11.3606","0.0003","14.5605","0.0004","90","","90","","90","","1879.27","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C84 H80 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0512","0.0478","","","0.1311","0.1361","","","","","","1.042","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155323","9.033","0.0005","9.8048","0.0007","12.0153","0.0007","90","","90.156","0.005","90","","1064.15","0.11","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","0.71073","MoKα","","0.0427","0.0362","","","0.0822","0.0857","","","","","","1.048","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155324","9.8675","0.0005","10.2949","0.0005","11.0351","0.0006","117.594","0.005","105.751","0.005","97.854","0.004","909.82","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","13-(tert-butylamino)-5,6-dihydropyrido[2',1':2,3]imidazo[5,1-a]isoquinolin-7-ium bromide","","- C19 H22 Br N3 -","- C19 H22 Br N3 -","- C38 H44 Br2 N6 -","2","1","","Sagar, A.; Nagarjuna Babu, Venkata; Shinde, Anand H.; Sharada, Duddu S.","A metal-free cyclic iminium induced one-pot double annulation cascade: access to dihydroisoquinolinium (DHIQ) salts.","Organic & biomolecular chemistry","2016","14","44","10366","10370","10.1039/c6ob02089e","","x-ray","1.54184","CuKα","","0.0396","0.0354","","","0.0904","0.0939","","","","","","1.05","","","","has coordinates","190261","2020-10-21","18:00:00",""
"7155327","8.3983","0.0004","14.6292","0.0006","16.7263","0.0008","92.703","0.003","101.462","0.003","104.534","0.003","1939.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrin chloroform solvate","","- C42 H47 Cl6 N3 O -","- C41 H46 Cl3 N3 O -","- C82 H92 Cl6 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.1149","0.0586","","","","0.1483","","","","","","1.015","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155328","12.6923","0.0007","13.2018","0.0007","13.612","0.0008","64.986","0.003","62.582","0.003","86.745","0.003","1807.56","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]copper(ii) chloroform solvate","","- C41 H44 Cl3 Cu N3 O -","- C41 H44 Cl3 Cu N3 O -","- C82 H88 Cl6 Cu2 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0473","0.0338","","","","0.0824","","","","","","1.022","","","","has coordinates","190266","2020-10-21","18:00:00",""
"7155329","11.5534","0.0007","12.889","0.0008","13.1228","0.0008","94.893","0.004","114.886","0.003","110.418","0.003","1598.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]palladium(ii)","","- C40 H43 N3 O Pd -","- C40 H43 N3 O Pd -","- C80 H86 N6 O2 Pd2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0538","0.038","","","","0.0957","","","","","","1.068","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155331","10.3562","0.0019","14.494","0.003","10.9559","0.0019","90","","98.598","0.003","90","","1626","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0923","0.0518","","","0.1161","0.1361","","","","","","0.996","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155332","10.309","0.005","14.264","0.007","10.935","0.005","90","","98.732","0.008","90","","1589.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N3 O3 -","- C15 H18 Cl N3 O3 -","- C60 H72 Cl4 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0666","0.0497","","","0.1435","0.1601","","","","","","0.997","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155333","7.5325","0.0007","8.2606","0.0007","9.0301","0.0008","73.705","0.008","83.998","0.008","68.21","0.008","500.78","0.08","295","2","295","2","","","","","","","Synthesized compound","3","P -1","-P 1","2","","6-methyl-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0625","0.0493","","","0.098","0.1054","","","","","","1.165","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155334","6.5842","0.001","10.527","0.003","14.581","0.003","90","","90","","90","","1010.6","0.4","295","2","295","2","","","","","","","Synthesized compound","4","P 21 21 21","P 2ac 2ab","19","","6-fluoro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0634","0.0407","","","0.0668","0.0765","","","","","","0.984","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155335","6.48478","0.00012","10.65822","0.00019","30.3573","0.0006","85.3716","0.0008","88.6754","0.0007","78.29","0.0007","2047.76","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","TPPbeSi","","- C45 H46 N4 O2 Si3 -","- C45 H46 N4 O2 Si3 -","- C90 H92 N8 O4 Si6 -","2","1","","Sugita, Noriaki; Hayashi, Satoshi; Shibata, Masashi; Endo, Taiga; Noji, Masahiro; Takatori, Kazuhiko; Takanami, Toshikatsu","Regioselective β-silylation of porphyrins via iridium-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2016","14","43","10189","10192","10.1039/c6ob02243j","","","1.54187","CuKα","","0.0731","0.0552","","","0.1527","0.1694","","","","","","1.115","","","","has coordinates","188289","2020-10-21","18:00:00",""
"7155342","7.2335","0.0018","10.875","0.003","14.08","0.004","69.0021","0.0018","89.6","0.002","73.302","0.002","984.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","Z2-52-2","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.0991","0.0792","","","0.2246","0.26","","","","","","1.033","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155343","13.49","0.004","7.784","0.003","16.677","0.005","90","","105.231","0.003","90","","1689.7","1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.1152","0.0507","","","0.0944","0.1166","","","","","","0.999","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155344","5.3124","0.0004","7.0459","0.0008","29.215","0.002","90","","90","","90","","1093.54","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia","Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.","Organic & biomolecular chemistry","2016","14","46","10906","10913","10.1039/c6ob02207c","","","1.54178","CuKα","","0.0602","0.06","","","0.1604","0.1604","","","","","","1.107","","","","has coordinates","190253","2020-10-21","18:00:00",""
"7155345","5.1901","0.0006","18.063","0.003","12.141","0.0013","90","","93.142","0.011","90","","1136.5","0.3","293.18","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.2476","0.0946","","","0.1585","0.2374","","","","","","0.981","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155346","5.7064","0.0005","17.0772","0.0013","14.1572","0.0009","90","","94.665","0.007","90","","1375.04","0.18","293.69","0.16","293.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2,2,2-Trifluoro-1-phenylethylidene)benzohydrazide","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C60 H44 F12 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.1181","0.0572","","","0.117","0.1527","","","","","","1.037","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155347","10.237","0.0003","10.237","0.0003","16.675","0.0004","90","","90","","90","","1747.48","0.08","298","2","298","2","","","","","","","","5","P 41","P 4w","76","F-THENA","8-Fluoro-1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","","Dolsophon, Kulvadee; Soponpong, Jakapun; Kornsakulkarn, Jittra; Thongpanchang, Chawanee; Prabpai, Samran; Kongsaeree, Palangpon; Thongpanchang, Tienthong","F-THENA: a chiral derivatizing agent for the determination of the absolute configuration of secondary aromatic alcohols with a self-validating system.","Organic & biomolecular chemistry","2016","14","46","11002","11012","10.1039/c6ob02255c","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0905","0.0953","","","","","","1.049","","","","has coordinates","190252","2020-10-21","18:00:00",""
"7155349","12.104","0.002","34.297","0.007","7.195","0.0014","90","","90","","90","","2986.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Chen, Dongyin; Zhang, Pu; Sun, Yan; Wang, Pengfei; Zhang, Can; Kong, Lingyi; Zhang, Ji; Sun, Hongbin; Wen, Xiaoan","Protonated montmorillonite-mediated highly specific isomerization of oleanolic acid esters: application to the synthesis of Δ(13(18))-CDDO-Me.","Organic & biomolecular chemistry","2016","14","47","11154","11161","10.1039/c6ob02126c","","","0.71073","MoKα","","0.1422","0.0789","","","0.1635","0.1978","","","","","","1.006","","","","has coordinates","190271","2020-10-21","18:00:00",""
"7155350","11.943","0.002","5.5757","0.0011","27.176","0.006","90","","91.791","0.007","90","","1808.8","0.6","125","","125","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 F4 -","- C21 H28 F4 -","- C84 H112 F16 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.0537","0.0516","","","0.1699","0.1727","","","","","","1.059","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155351","27.34","0.02","5.534","0.004","12.092","0.011","90","","102.294","0.019","90","","1788","2","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 F3 -","- C21 H29 F3 -","- C84 H116 F12 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.1506","0.0909","","","0.2512","0.2943","","","","","","1.108","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155352","11.934","0.003","5.5818","0.0015","26.703","0.007","90","","90.656","0.006","90","","1778.7","0.8","173","","173","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 -","- C21 H30 F2 -","- C84 H120 F8 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2025","0.081","","","0.1331","0.1732","","","","","","1.019","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155353","5.3032","0.0006","25.832","0.003","13.1164","0.0017","90","","97.667","0.003","90","","1780.8","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 F -","- C21 H31 F -","- C84 H124 F4 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.065","0.0532","","","0.1468","0.1545","","","","","","1.067","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155354","5.4875","0.0006","9.8366","0.0009","16.6611","0.0015","79.139","0.011","84.202","0.015","79.462","0.015","866.27","0.16","124","","124","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.057","0.0535","","","0.1604","0.1621","","","","","","1.145","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155355","10.07","0.003","15.616","0.004","17.611","0.004","94.94","0.007","91.272","0.006","95.758","0.007","2743.8","1.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C92 H112 F32 O24 S8 -","4","2","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2105","0.0963","","","0.2277","0.2772","","","","","","1.047","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155356","44.56","0.017","5.5896","0.0015","26.277","0.01","90","","124.357","0.007","90","","5403","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C184 H224 F64 O48 S16 -","8","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.1467","0.0648","","","0.1275","0.1673","","","","","","1.067","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155357","5.4268","0.0008","10.7827","0.0015","19.506","0.003","78.369","0.006","82.27","0.007","79.893","0.006","1094.8","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F5 O3 S -","- C22 H27 F5 O3 S -","- C44 H54 F10 O6 S2 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.0495","0.0434","","","0.1159","0.1317","","","","","","1.061","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155358","10.672","0.002","7.6389","0.0014","36.525","0.007","90","","92.495","0.003","90","","2974.8","1","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C168 H96 N16 O8 -","8","2","","Hu, Fangdong; Liu, Huanhuan; Jia, Jiong; Ma, Chen","Transition-metal-free synthesis of indole-fused dibenzo[b,f][1,4]oxazepines via Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","47","11076","11079","10.1039/c6ob02098d","","","0.71","MoKα","","0.1038","0.0659","","","0.0937","0.1034","","","","","","1.091","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155359","9.05634","0.00018","11.2038","0.0002","30.5045","0.0005","90","","90","","90","","3095.15","0.1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Br N2 O7 S -","- C28 H35 Br N2 O7 S -","- C112 H140 Br4 N8 O28 S4 -","4","1","","Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","Organocatalyzed enantioselective Michael addition/cyclization cascade reaction of 3-isothiocyanato oxindoles with arylidene malonates.","Organic & biomolecular chemistry","2016","14","47","11250","11260","10.1039/c6ob02104b","","x-ray","1.54184","CuKα","","0.0622","0.0542","","","0.1486","0.1603","","","","","","1.054","","","","has coordinates","190269","2020-10-21","18:00:00",""
"7155361","11.9878","0.0006","13.1429","0.0007","14.8309","0.0008","72.229","0.002","86.297","0.002","66.705","0.002","2039.57","0.19","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","2","","Roselli, Christina A.; Gagné, Michel R","Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes.","Organic & biomolecular chemistry","2016","14","47","11261","11265","10.1039/c6ob02128j","","","1.54178","CuKα","","0.0283","0.0262","","","0.066","0.0674","","","","","","1.054","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155362","14.369","0.002","15.522","0.003","20.704","0.004","87.071","0.002","81.557","0.002","64.601","0.002","4125.8","1.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","epoxy_ingenol derivative","","- C39 H59 Br O7 Si2 -","- C39 H59 Br O7 Si2 -","- C156 H236 Br4 O28 Si8 -","4","2","","Ohyoshi, Takayuki; Tamura, Yuki; Hayakawa, Ichiro; Hirai, Go; Miyazawa, Yamato; Funakubo, Shota; Sodeoka, Mikiko; Kigoshi, Hideo","Total synthesis of natural derivatives and artificial analogs of 13-oxyingenol and their biological evaluation.","Organic & biomolecular chemistry","2016","14","48","11426","11437","10.1039/c6ob02268e","","","0.71073","MoKα","","0.2126","0.1423","","","0.3578","0.4093","","","","","","1.013","","","","has coordinates","190256","2020-10-21","18:00:00",""
"7155363","17.1553","0.0007","11.3125","0.0004","19.1705","0.0007","90","","90","","90","","3720.4","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(5-Cyano-1<i>H</i>-indol-1-yl)indolo[2,1-<i>a</i>]isoquinoline-10-carbonitrile","","- C26 H14 N4 -","- C26 H14 N4 -","- C208 H112 N32 -","8","1","","Ausekle, Elina; Ejaz, Syeda Abida; Khan, Shafi Ullah; Ehlers, Peter; Villinger, Alexander; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed; Langer, Peter","New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation: potent inhibitors of nucleotide pyrophosphatase-1 and -3.","Organic & biomolecular chemistry","2016","14","48","11402","11414","10.1039/c6ob02236g","","","0.71073","MoKα","","0.0897","0.0497","","","0.1019","0.1223","","","","","","1.008","","","","has coordinates","190257","2020-10-21","18:00:00",""
"7155364","5.4842","0.0015","15.284","0.004","16.885","0.005","90","","90","","90","","1415.3","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Li, Ruikun; Wen, Zhongqing; Wu, Na","A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.","Organic & biomolecular chemistry","2016","14","47","11080","11084","10.1039/c6ob02202b","","","0.71073","MoKα","","0.0521","0.0356","","","0.0811","0.0881","","","","","","1.03","","","","has coordinates","190275","2020-10-21","18:00:00",""
"7155365","9.9971","0.0002","10.9922","0.0002","18.9189","0.0003","90","","93.6089","0.001","90","","2074.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150205","","","- C21 H22 N O5 S -","- C21 H22 N O5 S -","- C84 H88 N4 O20 S4 -","4","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.0968","0.0532","","","0.1266","0.148","","","","","","1.038","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155366","9.1944","0.0008","10.833","0.0009","13.2249","0.0012","70.003","0.004","83.089","0.004","89.062","0.004","1228.4","0.19","170","2","170","2","","","","","","","","5","P -1","-P 1","2","HG-01","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.1087","0.0892","","","0.1579","0.1674","","","","","","1.167","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155367","16.3439","0.0005","5.9484","0.0002","12.9762","0.0005","90","","90","","90","","1261.55","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.0376","0.0326","","","0.0781","0.082","","","","","","1.046","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155368","6.769","0.0004","17.4058","0.0007","26.8238","0.0009","94.767","0.003","94.714","0.004","99.371","0.004","3092.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.1012","0.0617","","","0.1417","0.1754","","","","","","1.08","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7157219","7.2732","0.0009","18.924","0.002","31.436","0.004","90","","90","","90","","4326.8","0.9","200","2","200","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H23 B N2 O2 -","- C23 H23 B N2 O2 -","- C184 H184 B8 N16 O16 -","8","0.5","","Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.","A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.","Organic & biomolecular chemistry","2016","14","42","10031","10036","10.1039/c6ob01695b","","","0.71073","MoKα","","0.0778","0.0655","","","0.1889","0.1962","","","","","","1.138","","","","has coordinates","234777","2020-10-21","18:00:00",""