# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T12:03:02+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 = 16 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
"1549028","7.5979","0.0005","14.0001","0.001","19.629","0.0012","90","","90","","90","","2088","0.2","170.8","","170.8","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C92 H104 Br8 O8 -","4","1","","Chang, Shirui; Wang, Lei; Lin, Xufeng","Synthesis and application of a new hexamethyl-1,1'-spirobiindane-based chiral bisphosphine (HMSI-PHOS) ligand in asymmetric allylic alkylation.","Organic & biomolecular chemistry","2018","16","13","2239","2247","10.1039/c8ob00279g","","","0.71073","MoKα","","0.0443","0.0354","","","0.0781","0.0832","","","","","","1.017","","","","has coordinates","230785","2020-10-21","18:00:00",""
"1549215","18.3692","0.0007","13.9179","0.0005","18.6682","0.0009","90","","107.269","0.005","90","","4557.6","0.3","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-tert-butyl-1-isopentyl-4-phenyl-2H-pyridine-5,6-dicarboxylate","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0815","0.0543","","","0.1332","0.1524","","","","","","1.018","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549216","11.9792","0.0006","12.1131","0.0005","13.4962","0.0007","94.97","0.004","103.881","0.004","109.494","0.004","1762.21","0.16","99.96","0.1","99.96","0.1","","","","","","","","4","P -1","-P 1","2","","methyl-2-(tert-butyl)-4-phenyl-1-propyl-1,2 dihydropyridine-3-carboxylate'","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0517","0.043","","","0.113","0.122","","","","","","1.023","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549217","17.6414","0.0012","17.596","0.0012","17.5732","0.0011","90","","103.004","0.002","90","","5315.1","0.6","120","","119.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cl N2 O2 S -","- C32 H27 Cl N2 O2 S -","- C256 H216 Cl8 N16 O16 S8 -","8","1","","Bao, Ming; Lu, Wei; Su, Han; Qiu, Lihua; Xu, Xinfang","A convergent formal [4 + 2] cycloaddition of 1,6-diynes and benzyl azides: construction of spiro-polyheterocycles.","Organic & biomolecular chemistry","2018","16","17","3258","3265","10.1039/c8ob00735g","","","0.71073","MoKα","","0.1351","0.0565","","","0.1267","0.184","","","","","","1.108","","","","has coordinates","230708","2020-10-21","18:00:00",""
"1549221","21.348","0.004","9.871","0.002","17.745","0.004","90","","92.423","0.005","90","","3736","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","1","","Kumari, Santosh; Shakoor, S. M. Abdul; Khullar, Sadhika; Mandal, Sanjay K.; Sakhuja, Rajeev","An unprecedented tandem synthesis of fluorescent coumarin-fused pyrimidines via copper-catalyzed cross-dehydrogenative C(sp<sup>3</sup>)-N bond coupling.","Organic & biomolecular chemistry","2018","16","17","3220","3228","10.1039/c8ob00586a","","","0.71073","MoKα","","0.073","0.046","","","0.1064","0.1199","","","","","","1.024","","","","has coordinates","230710","2020-10-21","18:00:00",""
"1549719","9.662","0.003","15.701","0.005","14.746","0.005","90","","94.165","0.005","90","","2231.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O9 -","- C24 H21 N O9 -","- C96 H84 N4 O36 -","4","1","","Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells.","Organic & biomolecular chemistry","2018","16","32","5920","5931","10.1039/c8ob01411f","","","0.71073","MoKα","","0.1117","0.0536","","","0.1358","0.1697","","","","","","0.983","","","","has coordinates","230632","2020-10-21","18:00:00",""
"7155930","10.8476","0.0003","17.322","0.0004","37.2345","0.0009","90","","90","","90","","6996.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N5 O8 -","- C38 H41 N5 O8 -","- C304 H328 N40 O64 -","8","2","","Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál","Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.","Organic & biomolecular chemistry","2018","16","3","393","401","10.1039/c7ob02296d","","","1.54184","CuKα","","0.0862","0.0669","","","","0.1861","","","","","","1.046","","","","has coordinates","230883","2020-10-21","18:00:00",""
"7155949","11.5591","0.0009","13.2129","0.0011","12.0726","0.001","90","","90.884","0.001","90","","1843.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10.25 Cl5.88 D0.88 N O3 -","- C15 H10.248 Cl5.876 D0.876 N O3 -","- C60 H40.992 Cl23.504 D3.504 N4 O12 -","4","1","","Rajale, Trideep; Sharma, Shikha; Unruh, Daniel K.; Stroud, Daniel A.; Birney, David M.","A pseudopericyclic [3,5]-sigmatropic rearrangement of a coumarin trichloroacetimidate derivative.","Organic & biomolecular chemistry","2018","16","6","874","879","10.1039/c7ob02335a","","","0.71073","MoKα","","0.0334","0.0279","","","0.0699","0.0731","","","","","","1.034","","","","has coordinates,has disorder","230721","2020-10-21","18:00:00",""
"7155991","6.32903","0.00009","8.54815","0.00013","23.7167","0.0004","90","","90","","90","","1283.11","0.03","99.97","0.12","99.97","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0735","0.0743","","","","","","1.025","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155992","9.66134","0.00017","5.45597","0.0001","14.8724","0.0002","90","","93.7727","0.0016","90","","782.25","0.02","291.84","0.1","291.84","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0899","0.0904","","","","","","1.049","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155993","6.38939","0.00011","7.59037","0.00013","26.8562","0.0005","90","","90","","90","","1302.47","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155995","9.7379","0.0019","13.134","0.003","14.204","0.003","74.4","0.03","79.76","0.03","87.25","0.03","1721.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19.5 N2.5 O3 -","- C19 H19.5 N2.5 O3 -","- C76 H78 N10 O12 -","4","2","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1371","0.0837","","","0.2141","0.2487","","","","","","1.009","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155996","7.7842","0.0016","19.387","0.004","8.315","0.0017","90","","106.96","0.03","90","","1200.3","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 N4 O5 -","- C24 H34 N4 O5 -","- C48 H68 N8 O10 -","2","1","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1224","0.089","","","0.1501","0.1659","","","","","","1.245","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155997","24.68","0.0009","24.68","0.0009","101.978","0.005","90","","90","","120","","53793","4","100.01","0.1","100.01","0.1","","","","","","","","3","R -3 :H","-R 3","148","FRP-6","","","- C300 H324 N12 -","- C300 H324 N12 -","- C1800 H1944 N72 -","6","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","","1.54184","CuKα","","0.1743","0.126","","","0.3615","0.4099","","","","","","1.231","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155998","27.8827","0.0006","27.8827","0.0006","25.2681","0.0005","90","","90","","120","","17012.7","0.6","150","0.1","150","0.1","","","","","","","","3","P -3","-P 3","147","FRP-7","","","- C252 H324 N12 -","- C252 H324 N12 -","- C504 H648 N24 -","2","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","x-ray","1.54184","CuKα","","0.1242","0.0971","","","0.2951","0.3293","","","","","","1.108","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7156001","7.966","0.002","9.708","0.003","13.669","0.004","90","","98.158","0.005","90","","1046.4","0.5","203","","203","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-((3-(4-nitrophenyl)-1-tosyl-1H-pyrazol-4-yl)methyl)benzonitrile","","- C24 H18 N4 O4 S -","- C24 H18 N4 O4 S -","- C48 H36 N8 O8 S2 -","2","1","","Yang, Ying; Hu, Zi-Lin; Li, Ren-Hao; Chen, Yi-Hui; Zhan, Zhuang-Ping","Pyrazole synthesis via a cascade Sonogashira coupling/cyclization of N-propargyl sulfonylhydrazones.","Organic & biomolecular chemistry","2018","16","2","197","201","10.1039/c7ob02576a","","","0.71073","MoKα","","0.0468","0.0423","","","0.0966","0.099","","","","","","1.042","","","","has coordinates","230714","2020-10-21","18:00:00",""
"7156002","9.337","0.003","10.612","0.004","13.512","0.005","71.627","0.004","81.23","0.005","72.359","0.005","1208.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N5 O7 -","- C25 H21 N5 O7 -","- C50 H42 N10 O14 -","2","1","","Mondal, Animesh; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","I<sub>2</sub> catalyzed access of spiro[indoline-3,4'-pyridine] appended amine dyad: new ON-OFF chemosensors for Cu<sup>2+</sup> and imaging in living cells.","Organic & biomolecular chemistry","2018","16","2","302","315","10.1039/c7ob02651j","","","0.71073","MoKα","","0.0874","0.0514","","","0.1515","0.201","","","","","","0.718","","","","has coordinates","230716","2020-10-21","18:00:00",""
"7156003","7.2037","0.0011","10.9197","0.0017","23.762","0.004","90","","90","","90","","1869.2","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 Si -","- C17 H28 O4 Si -","- C68 H112 O16 Si4 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0542","0.0533","","","0.1337","0.1349","","","","","","1.087","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156004","14.9553","0.0002","8.63515","0.00011","19.7885","0.0003","90","","111.869","0.0019","90","","2371.61","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C104 H128 O40 -","8","4","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0468","0.0456","","","0.1279","0.1287","","","","","","1.022","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156005","12.308","0.007","6.22","0.003","13.145","0.007","90","","108.591","0.011","90","","953.8","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0352","0.0332","","","0.0869","0.0881","","","","","","1.047","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156006","7.4671","0.0013","32.535","0.005","5.2751","0.0009","90","","108.583","0.004","90","","1214.7","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0508","0.0497","","","0.1135","0.1144","","","","","","1.15","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156007","10.1923","0.0018","18.865","0.003","31","0.006","90","","91.926","0.006","90","","5957.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H44 N O7.5 S2.5 Si -","- C22 H44 N O7.5 S2.5 Si -","- C176 H352 N8 O60 S20 Si8 -","8","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","0.71075","MoKα","","0.1555","0.1069","","","0.279","0.3146","","","","","","1.054","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156008","14.189","0.014","4.122","0.004","19.078","0.019","90","","96.17","0.012","90","","1109.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 I N S -","- C12 H8 I N S -","- C48 H32 I4 N4 S4 -","4","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru","Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study.","Organic & biomolecular chemistry","2018","16","2","245","255","10.1039/c7ob02523h","","","0.7107","MoKα","","0.0607","0.047","","","0.1189","0.1346","","","","","","0.809","","","","has coordinates","230713","2020-10-21","18:00:00",""
"7156009","6.6297","0.0015","15.443","0.004","20.287","0.005","90","","90","","90","","2077","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0516","0.0308","","","0.0653","0.0721","","","","","","1.009","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156010","7.297","0.002","10.159","0.003","14.198","0.004","90","","97.465","0.004","90","","1043.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0862","0.0463","","","0.0982","0.1229","","","","","","1.005","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156011","18.851","0.005","6.6457","0.0019","20.17","0.006","90","","114.181","0.003","90","","2305.1","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Br N O2 S -","- C22 H28 Br N O2 S -","- C88 H112 Br4 N4 O8 S4 -","4","2","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0702","0.0435","","","0.102","0.1306","","","","","","1.036","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156012","19.6052","0.0007","6.8504","0.0002","24.8223","0.0009","90","","90","","90","","3333.7","0.2","223","","223","1","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(2Z)-7-phenyl-2-(phenylmethylidine)-1,4,6-triozaspiro[4.5]decane","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Lombard, Fanny J.; Lepage, Romain J.; Schwartz, Brett D.; Johnston, Ryne C.; Healy, Peter C.; Krenske, Elizabeth H.; Coster, Mark J.","Synthesis of spirocyclic orthoesters by 'anomalous' rhodium(ii)-catalysed intramolecular C-H insertions.","Organic & biomolecular chemistry","2018","16","2","256","261","10.1039/c7ob02123b","","","0.7107","MoKα","","0.1049","0.0657","","","0.1044","0.1168","","","","","","1.117","","","","has coordinates","230712","2020-10-21","18:00:00",""
"7156013","5.5664","0.0003","8.8236","0.0005","28.6221","0.0019","90","","90","","90","","1405.79","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ruvinskaya, Julia O.; Rostovskii, Nikolai V.; Filippov, Ilya P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","A novel approach to 5H-pyrazino[2,3-b]indoles via annulation of 3-diazoindolin-2-imines with 2H-azirines or 5-alkoxyisoxazoles under Rh(ii) catalysis.","Organic & biomolecular chemistry","2017","16","1","38","42","10.1039/c7ob02637d","","","0.71073","MoKα","","0.0505","0.0419","","","0.0891","0.0924","","","","","","1.07","","","","has coordinates","230639","2020-10-21","18:00:00",""
"7156014","19.3723","0.0014","8.7871","0.0005","19.497","0.0014","90","","109.41","0.008","90","","3130.3","0.4","295.3","0.7","295.3","0.7","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N4 O -","- C18 H12 N4 O -","- C144 H96 N32 O8 -","8","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1056","0.0503","","","0.1085","0.1377","","","","","","1.01","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156015","5.432","0.0002","19.9758","0.0009","17.4712","0.0008","90","","97.033","0.002","90","","1881.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O3 S -","- C23 H17 N3 O3 S -","- C92 H68 N12 O12 S4 -","4","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.0929","0.0674","","","0.1659","0.192","","","","","","1.159","","","","has coordinates,has disorder","230670","2020-10-21","18:00:00",""
"7156016","10.2838","0.0005","12.8459","0.001","20.2842","0.0018","101.537","0.007","91.712","0.005","108.106","0.006","2483.3","0.3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H46 Br Cl Cu N3 O P2 -","- C52.5 H44 Br Cl Cu N3 O P2 -","- C105 H88 Br2 Cl2 Cu2 N6 O2 P4 -","2","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1506","0.0729","","","0.1784","0.2325","","","","","","1.032","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156017","6.0374","0.0007","9.0824","0.001","13.2438","0.0015","71.46","0.002","88.791","0.002","78.837","0.002","674.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O3 S3 -","- C11 H13 N O3 S3 -","- C22 H26 N2 O6 S6 -","2","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0748","0.0703","","","0.2061","0.2115","","","","","","1.06","","","","has coordinates,has disorder","230882","2020-10-21","18:00:00",""
"7156018","15.4813","0.0007","13.2156","0.0006","11.737","0.0004","90","","98.003","0.001","90","","2377.94","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C88 H112 N4 O20 P4 S4 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0757","0.0625","","","0.1686","0.1792","","","","","","1.051","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156019","6.1417","0.0008","9.665","0.0013","20.803","0.003","90","","97.498","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S3 -","- C10 H11 N O2 S3 -","- C40 H44 N4 O8 S12 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0574","0.056","","","0.1341","0.1351","","","","","","1.182","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156020","10.9934","0.0013","15.541","0.002","10.7812","0.0015","90","","99.582","0.004","90","","1816.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O3 S2 -","- C17 H17 Cl N2 O3 S2 -","- C68 H68 Cl4 N8 O12 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1339","0.0885","","","0.1875","0.2073","","","","","","1.057","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156021","17.218","0.007","7.657","0.003","14.611","0.006","90","","103.225","0.012","90","","1875.2","1.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O2 S2 -","- C18 H19 Cl N2 O2 S2 -","- C72 H76 Cl4 N8 O8 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1276","0.0547","","","0.1079","0.1277","","","","","","1.009","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156022","10.1637","0.0004","17.2472","0.0005","25.5023","0.0009","90","","90","","90","","4470.4","0.3","219.9","","219.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 Cl6 N5 O8 -","- C33 H55 Cl6 N5 O8 -","- C132 H220 Cl24 N20 O32 -","4","1","","Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.","Organic & biomolecular chemistry","2018","16","3","433","438","10.1039/c7ob02816d","","","0.71073","MoKα","","0.1037","0.0772","","","0.2108","0.2342","","","","","","1.03","","","","has coordinates,has disorder","230880","2020-10-21","18:00:00",""
"7156023","8.2376","0.0004","8.7359","0.0004","11.8649","0.0006","98.745","0.002","102.654","0.002","102.432","0.002","795.58","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem162_0m_a","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.0913","0.067","","","0.1789","0.2103","","","","","","1.158","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156024","9.5942","0.0006","9.7522","0.0007","10.4775","0.0006","101.242","0.003","98.692","0.003","100.998","0.003","925.62","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem152_0m_a","vbchem152_0m_a","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.1304","0.0923","","","0.2333","0.273","","","","","","1.24","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156025","11.0397","0.0005","10.6042","0.0003","19.2081","0.0009","90","","90","","90","","2248.64","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-fluorophenyl)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","1","","Maslivetc, Vladimir; Barrett, Colby; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Intramolecular nucleophilic addition of carbanions generated from N-benzylamides to cyclopropenes.","Organic & biomolecular chemistry","2018","16","2","285","294","10.1039/c7ob02068f","","x-ray","1.54184","CuKα","","0.0736","0.0652","","","0.1715","0.1812","","","","","","1.054","","","","has coordinates","230717","2020-10-21","18:00:00",""
"7156026","5.9946","0.0002","13.3006","0.0005","13.1317","0.0005","90","","93.111","0.003","90","","1045.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-((3R,4S,5S)-4-nitro-2-((2-nitrophenyl)sulfonyl)-3-phenyl-1,2-oxazinan-5-yl)acetate","","- C19 H19 N3 O9 S -","- C19 H19 N3 O9 S -","- C38 H38 N6 O18 S2 -","2","1","","Moczulski, Marek; Drelich, Piotr; Albrecht, Łukasz","Bifunctional catalysis in the stereocontrolled synthesis of tetrahydro-1,2-oxazines.","Organic & biomolecular chemistry","2018","16","3","376","379","10.1039/c7ob02894f","","x-ray","1.54184","CuKα","","0.0633","0.058","","","0.1566","0.1609","","","","","","1.029","","","","has coordinates","230881","2020-10-21","18:00:00",""
"7156027","15.2712","0.0005","11.6024","0.0004","14.692","0.0005","90","","107.143","0.001","90","","2487.51","0.15","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C120 H96 Cl8 O8 -","4","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0493","0.0365","","","0.0841","0.091","","","","","","1.022","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156028","14.8423","0.0004","16.4382","0.0005","12.546","0.0004","90","","97.066","0.001","90","","3037.73","0.16","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0602","0.0447","","","0.0995","0.1075","","","","","","1.03","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156029","8.2432","0.0002","10.4558","0.0003","13.9905","0.0004","89.46","0.001","73.266","0.001","88.81","0.001","1154.51","0.05","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0438","0.0363","","","0.0966","0.1013","","","","","","1.029","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156030","8.2454","0.0002","10.3667","0.0003","14.2973","0.0004","90.201","0.001","104.558","0.001","90.585","0.001","1182.78","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 F2 O2 -","- C30 H24 F2 O2 -","- C60 H48 F4 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0416","0.0368","","","0.0899","0.093","","","","","","1.037","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156031","6.164","0.0003","8.847","0.0004","12.0067","0.0005","106.131","0.001","92.963","0.001","101.467","0.001","612.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","1","0.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0305","0.0298","","","0.0778","0.0783","","","","","","1.047","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156034","29.898","0.003","12.7893","0.0014","24.928","0.003","90","","123.131","0.002","90","","7982.2","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F5 N O2 -","- C48 H30 F5 N O2 -","- C384 H240 F40 N8 O16 -","8","1","","Muthusamy, Sengodagounder; Balasubramani, Alagesan; Suresh, Eringathodi","A BF<sub>3</sub>·Et<sub>2</sub>O catalyzed atom-economical approach to highly substituted indole-3-carbinols from nitrosobenzenes and propargylic alcohols.","Organic & biomolecular chemistry","2018","16","5","756","764","10.1039/c7ob02559a","","","0.71073","MoKα","","0.087","0.0714","","","0.1533","0.1601","","","","","","1.146","","","","has coordinates","230674","2020-10-21","18:00:00",""
"7156035","12.813","0.002","14.49","0.002","16.225","0.004","108.147","0.003","98.12","0.004","116.118","0.002","2429.6","0.8","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N O3.5 S -","- C27 H25 Br N O3.5 S -","- C108 H100 Br4 N4 O14 S4 -","4","2","","Wang, Shengzheng; Chen, Shuqiang; Guo, Zhongjie; He, Shipeng; Zhang, Fan; Liu, Xueying; Chen, Weiping; Zhang, Shengyong; Sheng, Chunquan","Synthesis of spiro-tetrahydrothiopyran-oxindoles by Michael-aldol cascade reactions: discovery of potential P53-MDM2 inhibitors with good antitumor activity.","Organic & biomolecular chemistry","2018","16","4","625","634","10.1039/c7ob02726e","","","0.71073","MoKα","","0.1058","0.0572","","","0.1385","0.1788","","","","","","1.046","","","","has coordinates","230705","2020-10-21","18:00:00",""
"7156036","12.6542","0.0008","6.7364","0.0004","18.7735","0.0012","90","","103.364","0.003","90","","1556.99","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)phenol","","- C19 H14 Cl N3 O -","- C19 H14 Cl N3 O -","- C76 H56 Cl4 N12 O4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1236","0.0623","","","0.1084","0.1338","","","","","","1.033","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156037","7.2883","0.0002","7.8141","0.0002","15.5616","0.0003","78.263","0.001","86.775","0.001","76.922","0.001","845.17","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-Chloro-7-(2-hydroxy-5-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H16 Cl N3 O4 S -","- C16 H16 Cl N3 O4 S -","- C32 H32 Cl2 N6 O8 S2 -","2","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.055","0.039","","","0.0941","0.1038","","","","","","1.039","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156038","32.653","0.002","4.8634","0.0004","21.787","0.0016","90","","119.984","0.004","90","","2996.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,8-Dimethyl-1-phenyl-1<i>H</i>-benzofuro[3,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridine","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.0757","0.0462","","","0.1076","0.1274","","","","","","1.019","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156039","20.255","0.01","7.228","0.004","14.842","0.008","90","","107.35","0.03","90","","2074","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)-4-methylphenol","","- C21 H20 Cl N3 O3 S -","- C21 H20 Cl N3 O3 S -","- C84 H80 Cl4 N12 O12 S4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1086","0.0491","","","0.097","0.1205","","","","","","1.03","","","","has coordinates,has disorder","230671","2020-10-21","18:00:00",""
"7156040","14.4555","0.0007","5.39","0.0003","22.7358","0.001","90","","100.038","0.004","90","","1744.35","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.08","0.052","","","0.1085","0.1202","","","","","","1.05","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156041","6.7449","0.0004","11.3462","0.0007","12.9292","0.0007","67.033","0.005","83.287","0.005","88.921","0.005","904.39","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0792","0.0514","","","0.1121","0.1253","","","","","","1.018","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156042","7.76154","0.00016","14.0693","0.0003","16.6303","0.0003","103.626","0.0017","100.792","0.0017","99.5738","0.0017","1691.05","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 I O4 -","- C21 H13 I O4 -","- C84 H52 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0418","0.0332","","","0.0686","0.0719","","","","","","1.024","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156043","12.5028","0.0006","9.0127","0.0003","17.7036","0.001","90","","103.877","0.005","90","","1936.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0669","0.0452","","","0.0762","0.0828","","","","","","1.029","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156044","6.7649","0.0002","12.8471","0.0004","24.6221","0.0007","82.354","0.002","86.293","0.002","88.097","0.002","2115.77","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 I O4 -","- C25 H21 I O4 -","- C100 H84 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0804","0.0483","","","0.0806","0.0899","","","","","","1.014","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156045","27.2601","0.0008","10.403","0.0003","26.2305","0.0007","90","","90.833","0.002","90","","7437.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C384 H352 O48 -","16","4","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.146","0.0885","","","0.2033","0.2379","","","","","","1.058","","","","has coordinates,has disorder","230884","2020-10-21","18:00:00",""
"7156046","7.7672","0.0002","9.3611","0.0003","19.2665","0.0006","90","","90","","90","","1400.86","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","1.54178","CuKα","","0.0484","0.0448","","","0.1198","0.1238","","","","","","1.061","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156047","33.616","0.0019","7.9053","0.0004","11.1852","0.0007","90","","91.38","0.002","90","","2971.5","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H43 N O4 Si -","- C27 H43 N O4 Si -","- C108 H172 N4 O16 Si4 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","0.71073","MoKα","","0.0538","0.0449","","","0.127","0.1375","","","","","","1.008","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156048","18.502","0.003","7.545","0.0013","14.387","0.002","90","","119.633","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping","Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.","Organic & biomolecular chemistry","2018","16","5","742","749","10.1039/c7ob02778h","","","0.71073","MoKα","","0.0568","0.0419","","","0.1067","0.1143","","","","","","0.985","","","","has coordinates","230673","2020-10-21","18:00:00",""
"7156049","15.4159","0.0007","16.6808","0.0009","17.397","0.0006","90","","106.212","0.004","90","","4295.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C192 H256 O32 -","16","4","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0909","0.0493","","","0.117","0.1397","","","","","","1.016","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156050","7.3633","0.0006","8.6583","0.0008","9.2145","0.0009","95.128","0.008","98.931","0.008","111.272","0.008","533.98","0.09","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0637","0.0455","","","0.1011","0.1131","","","","","","1.034","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156051","15.0329","0.0006","7.9949","0.0003","11.4441","0.0006","90","","97.344","0.004","90","","1364.14","0.1","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0746","0.0487","","","0.1132","0.1303","","","","","","1.038","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156052","10.7257","0.0002","11.3249","0.0002","39.4835","0.0005","90","","90","","90","","4795.96","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro-rhombimine","","","- C54 H60 N4 O8 -","- C54 H60 N4 O8 -","- C216 H240 N16 O32 -","4","1","","Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.","Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.","Organic & biomolecular chemistry","2018","16","6","981","987","10.1039/c7ob02672b","","","1.54184","CuKα","","0.0504","0.0492","","","0.1325","0.1335","","","","","","1.069","","","","has coordinates","230723","2020-10-21","18:00:00",""
"7156053","11.2591","0.0007","10.2596","0.0005","19.9617","0.0011","90","","91.988","0.002","90","","2304.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shang, Xinye; Liu, Kun; Zhang, Zhongyin; Xu, Xianhong; Li, Pengfei; Li, Wenjun","Direct access to spirobiisoxazoline via the double 1,3-dipolar cycloaddition of nitrile oxide with allenoate.","Organic & biomolecular chemistry","2018","16","6","895","898","10.1039/c7ob03040a","","x-ray","0.71073","MoKα","","0.086","0.0488","","","0.0981","0.1116","","","","","","1.031","","","","has coordinates","230722","2020-10-21","18:00:00",""
"7156054","9.608","0.004","9.984","0.005","28.09","0.013","90","","90","","90","","2695","2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Br F N3 O4 -","- C31 H23 Br F N3 O4 -","- C124 H92 Br4 F4 N12 O16 -","4","1","","Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin","Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.","Organic & biomolecular chemistry","2018","16","5","807","815","10.1039/c7ob03051g","","","0.71073","MoKα","","0.0573","0.0521","","","0.1377","0.1414","","","","","","1.026","","","","has coordinates","230675","2020-10-21","18:00:00",""
"7156055","9.6421","0.0008","18.6118","0.0012","20.0924","0.0014","90","","90","","90","","3605.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B N2 O3 -","- C43 H47 B N2 O3 -","- C172 H188 B4 N8 O12 -","4","1","","Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.","The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.","Organic & biomolecular chemistry","2018","16","5","825","831","10.1039/c7ob02926h","","","0.71073","MoKα","","0.0697","0.049","","","0.0883","0.097","","","","","","1.034","","","","has coordinates","230669","2020-10-21","18:00:00",""
"7156056","9.7197","0.0006","12.3037","0.0005","19.686","0.0009","90","","90","","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(tosylamine)pyrrolidine","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D","Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.","Organic & biomolecular chemistry","2018","16","6","924","935","10.1039/c7ob02798b","","","0.71073","MoKα","","0.1471","0.0664","","","0.1025","0.1263","","","","","","0.994","","","","has coordinates","230724","2020-10-21","18:00:00",""
"7156057","14.565","0.003","11.48","0.002","24.047","0.005","90","","90","","90","","4020.8","1.4","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 I N O -","- C24 H20 I N O -","- C192 H160 I8 N8 O8 -","8","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0392","0.0364","","","0.0754","0.0766","","","","","","1.193","","","","has coordinates,has disorder","230718","2020-10-21","18:00:00",""
"7156058","12.79","0.004","14.85","0.005","12.068","0.004","90","","97.127","0.006","90","","2274.4","1.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.1177","0.0982","","","0.1497","0.1567","","","","","","1.308","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156059","9.2532","0.0019","9.542","0.003","12.045","0.003","82.895","0.003","86.591","0.003","79.419","0.003","1036.7","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl I N O -","- C24 H19 Cl I N O -","- C48 H38 Cl2 I2 N2 O2 -","2","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0352","0.0339","","","0.0796","0.0805","","","","","","1.162","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156060","10.69","0.002","28.425","0.006","9.586","0.002","90","","111.155","0.003","90","","2716.5","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 N2 O2 -","- C33 H30 Cl2 N2 O2 -","- C132 H120 Cl8 N8 O8 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0607","0.0541","","","0.1238","0.1278","","","","","","1.096","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156061","13.368","0.005","7.287","0.002","14.142","0.005","90","","113.436","0.008","90","","1264","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3,4-dichloro-2-(dimethylamino)-2-phenylbut-3-enenitrile","","- C12 H12 Cl2 N2 -","- C12 H12 Cl2 N2 -","- C48 H48 Cl8 N8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0545","0.0521","","","0.1343","0.1369","","","","","","1.061","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156062","6.1663","0.0008","12.6929","0.0011","17.4233","0.0015","90","","90","","90","","1363.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0331","0.0316","","","0.0825","0.0853","","","","","","1.054","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156063","8.087","0.004","6.124","0.004","13.998","0.007","90","","91.49","0.009","90","","693","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C34 H22 Cl2 O4 -","2","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0395","0.0328","","","0.0829","0.0866","","","","","","1.144","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156064","8.858","0.003","11.306","0.005","27.121","0.011","90","","90","","90","","2716.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0391","0.036","","","0.1193","0.123","","","","","","1.068","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156065","8.8054","0.0008","11.6093","0.0011","26.7629","0.0015","90","","90","","90","","2735.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O -","- C16 H13 Cl O -","- C128 H104 Cl8 O8 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0436","0.0408","","","0.1088","0.1132","","","","","","1.057","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156066","14.28","0.02","9.823","0.014","9.912","0.014","90","","98.27","0.02","90","","1376","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0534","0.0481","","","0.1886","0.1976","","","","","","1.685","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156067","29.849","0.0002","7.002","0.0002","7.688","0.0008","90","","90","","90","","1606.81","0.17","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Marek135 (Jian Qiang Huang)","","","- C16 H13 Br F N O4 -","- C16 H13 Br F N O4 -","- C64 H52 Br4 F4 N4 O16 -","4","1","","Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan","Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.","Organic & biomolecular chemistry","2018","16","7","1079","1082","10.1039/c8ob00067k","","","0.71073","MoKα","","0.058","0.0485","","","0.1317","0.1449","","","","","","1.122","","","","has coordinates","230796","2020-10-21","18:00:00",""
"7156068","12.091","0.004","12.635","0.005","25.986","0.01","90","","92.324","0.014","90","","3967","3","273.15","","273.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Z)-4-((2,4-dimethoxypyrimidin-5-yl)(phenyl)methylene)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.1165","0.0563","","","0.1404","0.1729","","","","","","1.038","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156069","10.117","0.003","13.923","0.004","12.307","0.004","90","","99.313","0.002","90","","1710.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoquinolin-4-yldiphenylmethanol","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.067","0.0458","","","0.1019","0.1131","","","","","","1.032","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156070","6.6454","0.0002","8.8659","0.0004","15.1694","0.0005","94.198","0.003","102.08","0.002","102.439","0.002","846.86","0.06","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","4-benzhydrylisoquinolin-1(2H)-one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0743","0.0458","","","0.1258","0.1416","","","","","","0.996","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156071","20.649","0.0017","10.8202","0.0008","20.1324","0.0017","90","","126.199","0.002","90","","3629.8","0.5","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-methyl-4-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)isoquinolin-1(2H)-one","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C192 H136 N8 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0773","0.0405","","","0.1194","0.162","","","","","","1.035","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156073","14.9764","0.0004","6.8786","0.0002","19.4161","0.0004","90","","90","","90","","2000.18","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C84 H72 F12 N12 O16 -","4","0.5","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.1106","0.1151","","","","","","1.093","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156074","15.5438","0.0003","7.15478","0.00011","23.2224","0.0004","90","","90","","90","","2582.62","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-1-(p-Totyl)-3-trifluoromethyl-3a,4,5,6a-tetrahydro-1H-furo[2,3-c]pyrazole","","- C13 H13 F3 N2 O -","- C13 H13 F3 N2 O -","- C104 H104 F24 N16 O8 -","8","1","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0454","0.039","","","0.101","0.1049","","","","","","1.076","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156075","15.05","0.0015","15.9438","0.0016","15.0274","0.0015","90","","113.382","0.002","90","","3309.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl N2 O8 -","- C37 H35 Cl N2 O8 -","- C148 H140 Cl4 N8 O32 -","4","1","","Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin","Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.","Organic & biomolecular chemistry","2018","16","8","1297","1304","10.1039/c7ob03009f","","","0.71073","MoKα","","0.0506","0.041","","","0.1064","0.1126","","","","","","1.026","","","","has coordinates","230646","2020-10-21","18:00:00",""
"7156076","6.3278","0.0005","13.3923","0.001","18.8088","0.0014","90","","90","","90","","1593.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C80 H52 Cl4 N8 O4 -","4","1","","Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi","Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.","Organic & biomolecular chemistry","2018","16","8","1330","1336","10.1039/c7ob02750h","","","0.71073","MoKα","","0.0676","0.0425","","","0.0744","0.0841","","","","","","0.992","","","","has coordinates","230645","2020-10-21","18:00:00",""
"7156077","8.791","0.0001","8.791","0.0001","38.3254","0.0008","90","","90","","90","","2961.85","0.08","100","2","100","0.14","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C96 H128 N16 O64 S8 -","8","1","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0519","0.0465","","","0.1111","0.1146","","","","","","1.042","","","","has coordinates","230648","2020-10-21","18:00:00",""
"7156078","9.0606","0.0003","10.3676","0.0002","16.4849","0.0004","82.4953","0.0019","85.481","0.002","74.878","0.002","1480.49","0.07","100","2","100","0.14","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C48 H64 N8 O32 S4 -","4","4","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1383","0.1461","","","","","","1.054","","","","has coordinates,has disorder","230648","2020-10-21","18:00:00",""
"7156079","5.9509","0.0012","7.1789","0.0012","16.121","0.004","90","","90.821","0.018","90","","688.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-1-phenylethyl (2R)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.1041","0.083","","","0.2308","0.256","","","","","","1.096","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156080","5.9238","0.0001","7.1787","0.0001","16.1585","0.0003","90","","90.8223","0.0008","90","","687.07","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-1-phenylethyl (2S)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.0276","0.0268","","","0.0722","0.0729","","","","","","1.025","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156081","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galia6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0456","0.0384","","","0.0931","0.0958","","","","","","1.069","","","","has coordinates","230800","2020-10-21","18:00:00",""
"7156082","11.243","0.002","30.552","0.007","7.3019","0.0016","90","","90","","90","","2508.2","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 4-(1-hydroxy-4-(trifluoromethyl)-1H-pyrrol-2-yl)benzoate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C104 H80 F24 N8 O24 -","8","1","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.1248","0.0565","","","0.1321","0.1726","","","","","","1.018","","","","has coordinates","230642","2020-10-21","18:00:00",""
"7156083","14.0956","0.0005","11.3444","0.0004","19.9859","0.0005","90","","134.705","0.002","90","","2271.42","0.15","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4-((4-(trifluoromethyl)isoxazol-5-yl)methyl)benzonitrile","","- C12 H7 F3 N2 O -","- C12 H7 F3 N2 O -","- C96 H56 F24 N16 O8 -","8","2","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.0472","0.0343","","","0.0783","0.0862","","","","","","1.02","","","","has coordinates,has disorder","230642","2020-10-21","18:00:00",""
"7156084","11.476","0.0007","10.3255","0.0009","12.5157","0.0012","90","","95.523","0.008","90","","1476.2","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl F3 N3 -","- C26 H19 Cl F3 N3 -","- C52 H38 Cl2 F6 N6 -","2","1","","Rahman, Abdul; Xie, En; Lin, Xufeng","Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.","Organic & biomolecular chemistry","2018","16","8","1367","1374","10.1039/c8ob00055g","","","0.71073","MoKα","","0.0741","0.047","","","0.0917","0.1035","","","","","","0.939","","","","has coordinates","230647","2020-10-21","18:00:00",""
"7156085","7.424","0.0004","8.7348","0.0005","10.9347","0.0006","87.855","0.001","80.444","0.001","88.215","0.001","698.53","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.0458","0.0397","","","0.1079","0.1142","","","","","","1.033","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156086","10.4839","0.0007","13.1593","0.001","21.3419","0.0015","90","","103.329","0.002","90","","2865","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","2","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.1224","0.0729","","","0.1384","0.16","","","","","","1.029","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156087","7.6576","0.0013","10.1949","0.0014","10.3237","0.0015","115.042","0.004","92.445","0.005","108.132","0.004","679.55","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl F N2 O -","- C16 H10 Cl F N2 O -","- C32 H20 Cl2 F2 N4 O2 -","2","1","","Zhang, Yingchao; Wen, Chunxia; Li, Jizhen","C5-Regioselective C-H fluorination of 8-aminoquinoline amides and sulfonamides with Selectfluor under metal-free conditions.","Organic & biomolecular chemistry","2018","16","11","1912","1920","10.1039/c7ob03059b","","","0.71073","MoKα","","0.0645","0.0461","","","0.1166","0.1329","","","","","","1.044","","","","has coordinates","230866","2020-10-21","18:00:00",""
"7156088","13.672","0.003","17.459","0.004","23.66","0.005","90","","92.451","0.003","90","","5642","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.1154","0.0721","","","0.2058","0.2453","","","","","","1.013","","","","has coordinates,has disorder","230798","2020-10-21","18:00:00",""
"7156089","14.9636","0.0017","12.2439","0.0014","33.362","0.004","90","","96.5","0.002","90","","6073.1","1.2","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N3 O2 -","- C36 H35 N3 O2 -","- C288 H280 N24 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.125","0.048","","","0.083","0.1171","","","","","","0.969","","","","has coordinates","230798","2020-10-21","18:00:00",""
"7156090","7.8606","0.0002","8.5158","0.0002","18.6068","0.0004","90","","98.771","0.001","90","","1230.96","0.05","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0581","0.0439","","","0.1087","0.1199","","","","","","1.029","","","","has coordinates,has disorder","230799","2020-10-21","18:00:00",""
"7156091","6.9263","0.0001","8.7238","0.0001","22.5349","0.0004","90","","95.292","0.001","90","","1355.84","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F3 N2 O -","- C15 H15 F3 N2 O -","- C60 H60 F12 N8 O4 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0382","0.0347","","","0.0847","0.0876","","","","","","1.067","","","","has coordinates","230799","2020-10-21","18:00:00",""
"7156092","10.474","0.005","10.511","0.005","13.935","0.006","87.432","0.008","75.479","0.007","71.405","0.008","1406.6","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.1034","0.0806","","","0.2169","0.2391","","","","","","0.992","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156093","9.8683","0.0007","10.505","0.0008","10.8101","0.0008","110.935","0.002","95.718","0.002","105.727","0.002","983.13","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.0642","0.0442","","","0.1359","0.1514","","","","","","1.084","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156094","15.4619","0.0009","9.5378","0.0005","22.6171","0.0012","90","","92.5215","0.0013","90","","3332.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N6 O6 S6 -","- C26 H38 N6 O6 S6 -","- C104 H152 N24 O24 S24 -","4","0.5","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.0326","0.0275","","","0.0675","0.0702","","","","","","1.099","","","","has coordinates","230793","2020-10-21","18:00:00",""
"7156095","19.763","0.002","21.594","0.002","33.712","0.004","90","","90","","90","","14387","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124.4 H156.62 N20 O25.4 S16.2 -","- C124.4 H156.62 N20 O25.4 S16.2 -","- C497.6 H626.48 N80 O101.6 S64.8 -","4","1","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.1545","0.0964","","","0.2197","0.2599","","","","","","1.091","","","","has coordinates,has disorder","230793","2020-10-21","18:00:00",""
"7156096","12.0777","0.0004","21.0362","0.0006","14.3712","0.0005","90","","107.602","0.003","90","","3480.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N4 O7 -","- C31 H47.5 N4 O7 -","- C124 H190 N16 O28 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.1003","0.0828","","","0.2174","0.236","","","","","","1.059","","","","has coordinates","230594","2020-10-21","18:00:00",""
"7156097","10.958","0.002","16.851","0.003","18.872","0.004","90","","101.84","0.03","90","","3410.6","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 N4 O9 -","- C31 H50 N4 O9 -","- C124 H200 N16 O36 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0367","0.0363","","","0.0962","0.0964","","","","","","1.045","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156098","20.8114","0.0001","12.8324","0.0001","23.6124","0.0002","90","","100.846","0.001","90","","6193.29","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C112 H199 N16 O28 -","- C112 H199 N16 O28 -","- C224 H398 N32 O56 -","2","1","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0803","0.08","","","0.2351","0.2355","","","","","","1.064","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156099","7.6656","0.0016","19.475","0.004","10.707","0.002","90","","93.755","0.004","90","","1595","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 S -","- C17 H14 N2 O4 S -","- C68 H56 N8 O16 S4 -","4","1","","Zeng, Fanxun; Zhang, Letian; Shao, Xusheng; Li, Zhong; Xu, Xiaoyong","Catalyst-free synthesis of thiazolidines via sequential hydrolysis/rearrangement reactions of 5-arylidenethiazolidin-4-ones at room temperature.","Organic & biomolecular chemistry","2018","16","11","1932","1938","10.1039/c7ob02924a","","","0.71073","MoKα","","0.0607","0.0483","","","0.1196","0.1268","","","","","","1.053","","","","has coordinates","230867","2020-10-21","18:00:00",""
"7156100","8.576","0.0001","9.059","0.0001","16.3","0.0003","81.049","0.001","89.263","0.001","78.661","0.001","1226.3","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 Co2 O9 -","- C25 H22 Co2 O9 -","- C50 H44 Co4 O18 -","2","1","","Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele","Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products.","Organic & biomolecular chemistry","2018","16","9","1557","1580","10.1039/c8ob00194d","","","0.71073","MoKα","","0.0448","0.0305","","","0.0712","0.0763","","","","","","1.012","","","","has coordinates","230802","2020-10-21","18:00:00",""
"7156101","8.1795","0.0014","11.924","0.007","14.235","0.002","108.105","0.0016","96.245","0.0016","108.712","0.0015","1215.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C64 H46 N2 O4 -","2","1","","Wang, Wenhui; Sun, Jinwei; Hu, Huayou; Liu, Yun","Copper-catalyzed aerobic cyclizations of tetrahydroisoquinolines with bromoketones and alkenes for the synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2018","16","10","1651","1658","10.1039/c7ob03048g","","","0.71073","MoKα","","0.0886","0.0517","","","0.1056","0.1145","","","","","","0.991","","","","has coordinates","230588","2020-10-21","18:00:00",""
"7156102","8.8729","0.0011","9.3458","0.0012","10.6991","0.0014","68.971","0.001","88.64","0.001","69.793","0.001","772.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Cl N2 O2 -","- C20 H11 Cl N2 O2 -","- C40 H22 Cl2 N4 O4 -","2","1","","Zhang, Yan; Liu, Jian-Quan; Wang, Xiang-Shan","An efficient synthesis of 16H-dibenzo[2,3:6,7][1,4]oxazepino[5,4-b]quinazolin-16-ones via an Ullmann reaction catalyzed by CuI.","Organic & biomolecular chemistry","2018","16","10","1679","1685","10.1039/c8ob00005k","","","0.71073","MoKα","","0.0432","0.0356","","","0.0913","0.0961","","","","","","1.048","","","","has coordinates","230586","2020-10-21","18:00:00",""
"7156103","9.584","0.005","9.866","0.004","11.366","0.006","80.384","0.009","84.059","0.012","66.028","0.01","967.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Cl F3 N3 O -","- C23 H13 Cl F3 N3 O -","- C46 H26 Cl2 F6 N6 O2 -","2","1","","Donthiboina, Kavitha; Namballa, Hari Krishna; Shaik, Siddiq Pasha; Nanubolu, Jagadeesh Babu; Shankaraiah, Nagula; Kamal, Ahmed","Iodine promoted dual oxidative C(sp<sup>3</sup>)-H amination of 2-methyl-3-arylquinazolin-4(3H)-ones: a facile route to 1,4-diarylimidazo[1,5-a]quinazolin-5(4H)-ones.","Organic & biomolecular chemistry","2018","16","10","1720","1727","10.1039/c7ob02677c","","","0.71073","MoKα","","0.0515","0.0424","","","0.1173","0.1245","","","","","","1.047","","","","has coordinates","230585","2020-10-21","18:00:00",""
"7156104","4.7875","0.0004","10.5072","0.0009","14.2488","0.0015","71.68","0.009","88.646","0.008","76.869","0.007","661.76","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 F3 N O3 S -","- C13 H8 F3 N O3 S -","- C26 H16 F6 N2 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.1408","0.118","","","0.2534","0.2653","","","","","","1.334","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156105","12.2391","0.0003","8.0497","0.0002","13.6415","0.0004","90","","91.602","0.002","90","","1343.45","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 O4 S -","- C15 H7 F3 O4 S -","- C60 H28 F12 O16 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0743","0.066","","","0.1733","0.1861","","","","","","1.066","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156106","9.0948","0.0007","20.0144","0.0016","7.8362","0.0006","90","","106.353","0.009","90","","1368.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0754","0.0546","","","0.1575","0.1666","","","","","","0.972","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156107","8.0423","0.0004","8.0926","0.0005","9.4378","0.0006","68.147","0.006","84.221","0.005","72.377","0.005","543.3","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F3 O3 S -","- C11 H5 F3 O3 S -","- C22 H10 F6 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0503","0.0392","","","0.0973","0.1055","","","","","","1.04","","","","has coordinates,has disorder","230590","2020-10-21","18:00:00",""
"7156108","7.8595","0.0005","7.9836","0.0005","12.2941","0.0007","89.939","0.005","74.827","0.005","68.477","0.006","688.73","0.08","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 Br O2 S -","- C16 H9 Br O2 S -","- C32 H18 Br2 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0889","0.0426","","","0.0711","0.0846","","","","","","1.029","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156109","4.6767","0.0001","19.3071","0.0003","14.5648","0.0002","90","","97.949","0.001","90","","1302.47","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F6 O2 S2 -","- C12 H4 F6 O2 S2 -","- C48 H16 F24 O8 S8 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.042","0.0347","","","0.0874","0.0937","","","","","","1.049","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156110","7.4794","0.0007","7.9785","0.0008","11.9788","0.001","95.823","0.008","102.31","0.008","113.691","0.009","625.39","0.12","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 F3 O2 S -","- C15 H7 F3 O2 S -","- C30 H14 F6 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0589","0.0393","","","0.0892","0.1","","","","","","1.069","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156111","14.5769","0.0004","11.1576","0.0002","31.0437","0.0007","90","","102.048","0.002","90","","4937.8","0.2","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C208 H144 F48 O48 S16 -","16","2","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0933","0.083","","","0.2014","0.2103","","","","","","1.026","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156112","7.2227","0.0006","8.4064","0.0007","12.3348","0.0009","75.046","0.007","76.516","0.007","66.783","0.008","657.64","0.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C34 H24 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0562","0.0386","","","0.0848","0.0939","","","","","","1.036","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156113","19.2151","0.0006","7.8797","0.0002","7.1525","0.0002","90","","97.718","0.003","90","","1073.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 O2 S -","- C11 H5 F3 O2 S -","- C44 H20 F12 O8 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0726","0.0658","","","0.1802","0.1866","","","","","","1.059","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156114","14.1466","0.0018","12.4232","0.0017","18.979","0.002","90","","90","","90","","3335.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O4 S -","- C21 H14 O4 S -","- C168 H112 O32 S8 -","8","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0791","0.0445","","","0.0958","0.1137","","","","","","1.047","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156115","17.823","0.002","6.9975","0.0007","27.834","0.004","90","","100.799","0.005","90","","3409.9","0.7","150","","150","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Henrion, S.; Macé, A; Vallejos, M. M.; Roisnel, T.; Carboni, B.; Villalgordo, J. M.; Carreaux, F.","Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (-)-nicotlactone B and (-)-galbacin.","Organic & biomolecular chemistry","2018","16","10","1672","1678","10.1039/c8ob00101d","","x-ray","0.71073","MoKα","","0.0723","0.0468","","","0.101","0.1107","","","","","","1.024","","","","has coordinates","230595","2020-10-21","18:00:00",""
"7156116","7.5946","0.0003","13.4938","0.0006","15.8269","0.0007","90","","90","","90","","1621.94","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans.","Organic & biomolecular chemistry","2018","16","9","1598","1608","10.1039/c8ob00078f","","","0.71073","MoKα","","0.0577","0.0433","","","0.1073","0.1193","","","","","","0.991","","","","has coordinates","230801","2020-10-21","18:00:00",""
"7156117","21.1","0.0011","23.1109","0.0012","23.201","0.0012","90","","112.784","0.002","90","","10430.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 N4 O12 -","- C55 H56 N4 O12 -","- C440 H448 N32 O96 -","8","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.0962","0.0532","","","0.1427","0.1586","","","","","","1.069","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156118","11.9894","0.0006","21.2887","0.001","21.7173","0.0011","90","","93.3","0.002","90","","5533.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H68 N4 O12 -","- C61 H68 N4 O12 -","- C244 H272 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1511","0.0521","","","0.1071","0.1492","","","","","","0.995","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156119","20.9082","0.0003","23.7424","0.0004","23.9838","0.0004","90","","90","","90","","11905.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N6 O12 -","- C63 H68 N6 O12 -","- C504 H544 N48 O96 -","8","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.1236","0.1012","","","0.3309","0.3593","","","","","","1.436","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156120","12.346","0.0005","19.5371","0.0007","22.8661","0.0009","106.561","0.001","102.458","0.001","97.147","0.001","5059.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N4 O12 -","- C57 H60 N4 O12 -","- C228 H240 N16 O48 -","4","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1031","0.058","","","0.1453","0.1776","","","","","","1.029","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156121","11.0365","0.0007","16.7007","0.001","17.2058","0.001","93.872","0.002","92.106","0.002","108.051","0.002","3002.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 Cl4 N4 O12 -","- C61 H68 Cl4 N4 O12 -","- C122 H136 Cl8 N8 O24 -","2","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1276","0.0896","","","0.2567","0.2999","","","","","","1.018","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156122","11.5406","0.0001","19.4516","0.0002","23.9649","0.0002","90","","101.455","0.001","90","","5272.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 N4 O12 -","- C59 H64 N4 O12 -","- C236 H256 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.0522","0.0436","","","0.1176","0.1226","","","","","","1.042","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156123","13.1925","0.0012","13.3019","0.0012","7.7183","0.0007","90","","100.757","0.001","90","","1330.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 O4 S -","- C13 H9 F3 O4 S -","- C52 H36 F12 O16 S4 -","4","1","","Wang, Yajun; Wu, Rui; Zhao, Shijun; Quan, Zhengjun; Su, Yingpeng; Huo, Congde","Air promoted annulation of thiophenols with alkynes leading to benzothiophenes.","Organic & biomolecular chemistry","2018","16","10","1667","1671","10.1039/c8ob00010g","","","0.71073","MoKα","","0.0496","0.0448","","","0.1386","0.1462","","","","","","1","","","","has coordinates","230589","2020-10-21","18:00:00",""
"7156124","8.16871","0.00017","8.25025","0.00017","23.3395","0.0004","90","","90","","90","","1572.94","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O7 -","- C17 H22 O7 -","- C68 H88 O28 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0408","0.0405","","","0.108","0.1086","","","","","","1.049","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156125","23.0565","0.001","6.6594","0.0002","26.3805","0.0011","90","","117.81","0.006","90","","3582.7","0.3","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H68 O4 -","- C40 H68 O4 -","- C160 H272 O16 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0658","0.056","","","0.1325","0.1416","","","","","","1.002","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156126","10.4093","0.0012","6.2017","0.0007","15.4242","0.0017","90","","92.398","0.002","90","","994.84","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.","Organic & biomolecular chemistry","2018","16","10","1751","1759","10.1039/c8ob00306h","","","0.71073","MoKα","","0.0366","0.0345","","","0.0878","0.0895","","","","","","1.002","","","","has coordinates","230591","2020-10-21","18:00:00",""
"7156127","11.3575","0.0004","12.9479","0.0006","15.7889","0.0005","81.909","0.003","88.938","0.003","72.873","0.003","2196.15","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","1","1","","Wang, Zhen-Hua; You, Yong; Chen, Yong-Zheng; Xu, Xiao-Ying; Yuan, Wei-Cheng","An asymmetric organocatalytic vinylogous Mannich reaction of 3-methyl-5-arylfuran-2(3H)-ones with N-(2-pyridinesulfonyl) imines: enantioselective synthesis of δ-amino γ,γ-disubstituted butenolides.","Organic & biomolecular chemistry","2018","16","10","1636","1640","10.1039/c7ob03117c","","x-ray","1.54184","CuKα","","0.0528","0.0458","","","0.1139","0.1208","","","","","","1.026","","","","has coordinates,has disorder","230596","2020-10-21","18:00:00",""
"7156128","8.7419","0.0006","10.7719","0.0007","10.9487","0.0007","65.802","0.007","70.156","0.006","75.68","0.006","877.51","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-(4- methoxyphenyl)-1',2-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","0.71073","MoKα","","0.0856","0.0536","","","0.1565","0.1901","","","","","","1.009","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156129","8.521","0.005","10.998","0.005","23.489","0.01","90","","93.24","0.04","90","","2197.7","1.9","295","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0563","0.045","","","0.1162","0.125","","","","","","1.006","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156130","8.803","0.006","10.863","0.006","12.961","0.011","84.4","0.06","71.46","0.07","80.99","0.05","1159.1","1.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-chlorophenyl)-1',2-diphenyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C27 H21 Cl N4 O2 -","- C27 H21 Cl N4 O2 -","- C54 H42 Cl2 N8 O4 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0599","0.0496","","","0.1287","0.1367","","","","","","1","","","","has coordinates","230587","2020-10-21","18:00:00",""
"7156131","8.9797","0.0002","17.5384","0.0003","9.3882","0.0002","90","","108.488","0.002","90","","1402.24","0.05","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Guan, Qianqian; Sun, Qi; Wen, Lixian; Zha, Zhenggen; Yang, Yu; Wang, Zhiyong","The synthesis of benzimidazoles via a recycled palladium catalysed hydrogen transfer under mild conditions.","Organic & biomolecular chemistry","2018","16","12","2088","2096","10.1039/c8ob00323h","","","1.54184","CuKα","","0.0403","0.036","","","0.0983","0.1028","","","","","","1.036","","","","has coordinates","230877","2020-10-21","18:00:00",""
"7156132","13.917","0.003","10.417","0.002","16.611","0.004","90","","103.506","0.004","90","","2341.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N O Se -","- C27 H20 Br N O Se -","- C108 H80 Br4 N4 O4 Se4 -","4","1","","Li, Xiwang; He, Pei; Zhou, Hai-Bing; Dong, Chune","One-step pathway to selenoisobenzofuran-1(3H)-imine derivatives through highly selective selenocyclization of olefinic amides with benzeneselenyl chloride.","Organic & biomolecular chemistry","2018","16","12","2150","2155","10.1039/c8ob00179k","","","0.71073","MoKα","","0.1138","0.0522","","","0.1046","0.1282","","","","","","0.984","","","","has coordinates,has disorder","230876","2020-10-21","18:00:00",""
"7156133","5.77529","0.00012","22.1018","0.0005","14.0999","0.0003","90","","101.182","0.0019","90","","1765.61","0.07","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl F3 N3 O2 -","- C19 H13 Cl F3 N3 O2 -","- C76 H52 Cl4 F12 N12 O8 -","4","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0647","0.0605","","","0.1087","0.111","","","","","","1.118","","","","has coordinates,has disorder","230878","2020-10-21","18:00:00",""
"7156134","5.781","0.0002","8.5176","0.0003","11.7466","0.0004","102.453","0.003","90.5","0.002","98.113","0.002","558.69","0.03","295.6","0.2","295.6","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C22 H16 Cl2 N6 O4 -","2","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0366","0.0345","","","0.0966","0.0989","","","","","","1.054","","","","has coordinates","230878","2020-10-21","18:00:00",""
"7156135","16.772","0.003","9.0637","0.0015","25.832","0.004","90","","90","","90","","3926.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C168 H232 N24 O24 -","8","1","","Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun","A reversible and highly selective two-photon fluorescent ""on-off-on"" probe for biological Cu<sup>2+</sup> detection.","Organic & biomolecular chemistry","2018","16","13","2264","2268","10.1039/c8ob00257f","","","0.71073","MoKα","","0.0473","0.0365","","","0.0965","0.1026","","","","","","1.012","","","","has coordinates","230786","2020-10-21","18:00:00",""
"7156136","5.5524","0.0017","7.337","0.002","9.871","0.003","90","","91.581","0.007","90","","402","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0478","0.0359","","","0.1198","0.1336","","","","","","1.038","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156137","10.523","0.005","10.046","0.005","11.683","0.005","90","0.005","103.959","0.005","90","0.005","1198.6","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 O3 Si -","- C26 H32 O3 Si -","- C52 H64 O6 Si2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0406","0.0352","","","0.0878","0.0917","","","","","","1.033","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156138","10.558","0.003","39.473","0.012","11.458","0.004","90","","90","","90","","4775","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O2 Si -","- C25 H33 N3 O2 Si -","- C200 H264 N24 O16 Si8 -","8","4","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.158","0.1078","","","0.2381","0.2781","","","","","","1.052","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156139","8.2816","0.0014","11.7445","0.0019","25.888","0.004","90","","90","","90","","2518","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.116","0.0568","","","0.1161","0.1396","","","","","","0.981","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156140","8.5588","0.0006","6.9137","0.0005","15.0132","0.0011","90","","99.591","0.002","90","","875.96","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl O -","- C20 H29 Cl O -","- C40 H58 Cl2 O2 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0487","0.0364","","","0.0829","0.0885","","","","","","1.019","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156141","7.5312","0.0003","20.9084","0.0008","21.2244","0.0009","90","","90","","90","","3342.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C152 H232 Cl8 O16 -","8","2","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0282","0.0265","","","0.0747","0.076","","","","","","1.199","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156142","13.2696","0.0016","7.0208","0.0008","28.171","0.003","90","","97.17","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H45 Cl O2 Si -","- C26 H45 Cl O2 Si -","- C104 H180 Cl4 O8 Si4 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0599","0.0576","","","0.1426","0.1434","","","","","","1.275","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156143","7.1254","0.0005","11.6665","0.0008","10.8645","0.0008","90","","103.497","0.002","90","","878.21","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C38 H58 Cl2 O4 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0565","0.0426","","","0.0935","0.1013","","","","","","0.988","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156144","7.4333","0.0017","13.538","0.003","16.411","0.004","90","","90","","90","","1651.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0316","0.0284","","","0.0711","0.0731","","","","","","1.045","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156145","11.149","0.002","11.921","0.002","18.456","0.004","90","","90","","90","","2452.9","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo","Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.","Organic & biomolecular chemistry","2018","16","13","2356","2361","10.1039/C8OB00231B","","","0.71073","MoKα","","0.0505","0.0459","","","0.1252","0.1304","","","","","","1.033","","","","has coordinates","230784","2020-10-21","18:00:00",""
"7156146","11.586","0.003","15.822","0.003","8.7845","0.0018","90","","97.997","0.008","90","","1594.7","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.1739","0.0683","","","0.1135","0.1401","","","","","","1.048","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156147","12.836","0.007","8.234","0.003","13.79","0.01","90","","117.679","0.017","90","","1290.7","1.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.0896","0.0595","","","0.1671","0.1884","","","","","","1.082","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156148","31.267","0.008","8.132","0.003","22.702","0.006","90","","90","","90","","5772","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C272 H224 N32 O16 S16 -","16","2","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.2036","0.0799","","","0.1818","0.2381","","","","","","1.036","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156149","11.9068","0.0006","10.5151","0.0005","18.2449","0.0008","90","","108.882","0.001","90","","2161.36","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl [(2,2-diphenyl-3,4-dihydro-2H-chromen-4-yl)methyl]malonate","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0438","0.0389","","","0.1026","0.1065","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156150","8.0373","0.0004","17.6384","0.0009","10.4852","0.0005","90","","97.079","0.001","90","","1475.1","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[5-bromo-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C14 H15 Br O6 -","- C14 H15 Br O6 -","- C56 H60 Br4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0328","0.0255","","","0.0633","0.0662","","","","","","1.052","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156151","8.4387","0.0011","8.5555","0.0011","9.4816","0.0012","97.917","0.002","100.06","0.002","92.556","0.002","665.94","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(5-bromo-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Br O5 -","- C13 H13 Br O5 -","- C26 H26 Br2 O10 -","2","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0337","0.0273","","","0.0643","0.067","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156152","8.835","0.002","6.916","0.002","24.341","0.01","90","","90.48","0.03","90","","1487.3","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-chloro-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C15 H17 Cl O6 -","- C15 H17 Cl O6 -","- C60 H68 Cl4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0447","0.0314","","","0.0821","0.0886","","","","","","1.04","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156153","9.594","0.002","8.102","0.002","17.944","0.006","90","","104.5","0.02","90","","1350.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(5-chloro-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0878","0.0456","","","0.115","0.133","","","","","","1.025","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156154","9.6172","0.0005","18.6822","0.001","10.3451","0.0005","90","","109.39","0.001","90","","1753.28","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-bromo-3-methoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C16 H19 Br O7 -","- C16 H19 Br O7 -","- C64 H76 Br4 O28 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0425","0.0338","","","0.0924","0.0969","","","","","","1.05","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156155","8.2614","0.0001","11.369","0.0002","10.8661","0.0002","90","","106.297","0.0004","90","","979.58","0.03","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C42 H30 N6 O12 S2 -","2","1","","K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy","Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.","Organic & biomolecular chemistry","2018","16","14","2522","2526","10.1039/C7OB03198J","","","0.71073","MoKα","","0.0391","0.0363","","","0.099","0.1015","","","","","","1.058","","","","has coordinates","230787","2020-10-21","18:00:00",""
"7156156","6.5612","0.0003","9.2289","0.0004","15.5715","0.0007","95.807","0.004","94.598","0.004","98.71","0.004","922.86","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O6 S -","- C15 H24 N4 O6 S -","- C30 H48 N8 O12 S2 -","2","1","","Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka","C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.","Organic & biomolecular chemistry","2018","16","15","2678","2687","10.1039/c8ob00253c","","x-ray","1.54184","CuKα","","0.0577","0.0537","","","0.1453","0.1531","","","","","","1.001","","","","has coordinates","230816","2020-10-21","18:00:00",""
"7156157","10.94","0.004","23.899","0.008","10.129","0.003","90","","96.474","0.006","90","","2631.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","1","","Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang","Metal-free α-alkylation of alcohols with para-quinone methides.","Organic & biomolecular chemistry","2018","16","15","2762","2767","10.1039/c8ob00568k","","","0.71073","MoKα","","0.091","0.072","","","0.2191","0.2426","","","","","","0.989","","","","has coordinates","230815","2020-10-21","18:00:00",""
"7156158","7.0746","0.0017","8.499","0.002","10.459","0.002","92.779","0.006","104.832","0.006","93.958","0.006","605","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F2 O3 -","- C16 H10 F2 O3 -","- C32 H20 F4 O6 -","2","1","","Wang, Rui; Han, Jie; Li, Chenchen; Zhang, Jie; Liang, Yong; Wang, Tao; Zhang, Zunting","One-pot synthesis of 3-fluoroflavones via 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones and selectfluor at room temperature.","Organic & biomolecular chemistry","2018","16","14","2479","2488","10.1039/C8OB00135A","","","1.54178","CuKα","","0.0431","0.043","","","0.1112","0.1113","","","","","","1.096","","","","has coordinates","230788","2020-10-21","18:00:00",""
"7156159","16.3273","0.0007","16.8364","0.0008","17.1138","0.0008","89.826","0.002","66.421","0.002","65.168","0.002","3835.3","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","CV835","","","- C24 H24 O -","- C24 H24 O -","- C192 H192 O8 -","8","4","","Virumbrales, Cintia; Suárez-Pantiga, Samuel; Solas, Marta; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(i)-catalyzed diastereoselective synthesis of 1-α-oxybenzyl-1H-indenes.","Organic & biomolecular chemistry","2018","16","15","2623","2628","10.1039/c8ob00406d","","","0.71073","MoKα","","0.1647","0.0676","","","0.1614","0.2016","","","","","","1.01","","","","has coordinates,has disorder","230820","2020-10-21","18:00:00",""
"7156160","8.5004","0.0002","12.8701","0.0002","16.4218","0.0003","90","","90","","90","","1796.56","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.54184","CuKα","","0.0362","0.0356","","0.0958","0.095","0.0958","","","","","","1.0118","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156161","8.5534","0.0001","13.2093","0.0002","16.1337","0.0002","90","","90","","90","","1822.86","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 I N2 O6 -","- C15 H23 I N2 O6 -","- C60 H92 I4 N8 O24 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.5418","CuKα","","0.0302","0.0301","","0.0805","0.0803","0.0805","","","","","","1.0052","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156162","8.7409","0.0005","9.6037","0.0006","12.1665","0.0007","72.299","0.004","87.366","0.004","72.955","0.005","929.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.0807","0.0525","","","0.1019","0.1168","","","","","","1.05","","","","has coordinates","230791","2020-10-21","18:00:00",""
"7156163","8.3973","0.0008","8.5161","0.0009","14.1035","0.0013","97.848","0.006","104.222","0.006","108.609","0.006","900.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.078","0.0495","","","0.116","0.1334","","","","","","1.023","","","","has coordinates,has disorder","230791","2020-10-21","18:00:00",""
"7156164","6.3579","0.0007","12.657","0.0013","22.518","0.002","90","","90","","90","","1812.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O5 -","- C20 H17 Br O5 -","- C80 H68 Br4 O20 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0501","0.0339","","","0.0801","0.0868","","","","","","1.016","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156165","5.8248","0.0005","11.9048","0.001","26.568","0.002","90","","90","","90","","1842.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0425","0.0362","","","0.0846","0.0893","","","","","","1.051","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156166","10.7366","0.0004","11.0614","0.0005","21.0424","0.0011","90","","101.46","0.004","90","","2449.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B2 F8 O2 S8 -","- C16 H14 B2 F8 O2 S8 -","- C64 H56 B8 F32 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","0.71073","MoKα","","0.0578","0.0386","","","0.08","0.0892","","","","","","1.025","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156167","31.739","0.003","4.5314","0.0004","14.5044","0.0012","90","","101.228","0.005","90","","2046.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S8 -","- C16 H14 O2 S8 -","- C64 H56 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","1.54178","CuKα","","0.0507","0.0395","","","0.0987","0.104","","","","","","1.048","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156168","7.9327","0.0004","18.8397","0.0009","22.3499","0.0016","90","","100.199","0.005","90","","3287.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Br O4 S Se -","- C33 H33 Br O4 S Se -","- C132 H132 Br4 O16 S4 Se4 -","4","2","","Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong","Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2018","16","16","2893","2901","10.1039/c8ob00359a","","x-ray","0.71073","MoKα","","0.1192","0.0676","","","0.1421","0.1658","","","","","","1.054","","","","has coordinates","230734","2020-10-21","18:00:00",""
"7156169","9.795","0.005","10.469","0.005","12.397","0.005","87.898","0.005","81.097","0.005","82.861","0.005","1246","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.2425","0.087","","","0.1476","0.1989","","","","","","0.985","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156170","13.1542","0.0009","13.3153","0.0009","15.723","0.0011","103.217","0.002","113.154","0.002","93.739","0.002","2427.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C120 H120 N8 O16 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.1321","0.0642","","","0.1341","0.164","","","","","","0.976","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156171","7.581","0.005","10.819","0.005","13.144","0.005","89.938","0.005","87.155","0.005","82.887","0.005","1068.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.0678","0.0505","","","0.1261","0.1352","","","","","","1.049","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156172","7.8621","0.0004","10.129","0.0005","12.5926","0.0005","70.829","0.004","76.104","0.004","67.503","0.005","867.55","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl N3 O6 S -","- C14 H16 Cl N3 O6 S -","- C28 H32 Cl2 N6 O12 S2 -","2","1","","Zhou, Minghui; Su, Qin; Addepalli, Yesu; He, Yun; Wang, Zhen","An asymmetric Mannich reaction of α-diazocarbonyl compounds and N-sulfonyl cyclic ketimines catalyzed by complexes generated from chiral and achiral phosphines with gold(i).","Organic & biomolecular chemistry","2018","16","16","2923","2931","10.1039/c8ob00577j","","x-ray","0.71073","MoKα","","0.0752","0.0492","","","0.1246","0.1343","","","","","","1.098","","","","has coordinates","230732","2020-10-21","18:00:00",""
"7156173","8.809","0.011","12.652","0.016","16.37","0.02","90","","91.413","0.013","90","","1824","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","vbchem293S","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Mondal, Susmita; Hajra, Alakananda","Ruthenium(ii)-catalyzed remote C-H addition of 8 aminoquinoline amide to activated aldehyde.","Organic & biomolecular chemistry","2018","16","16","2846","2850","10.1039/c8ob00537k","","","0.71073","MoKα","","0.1956","0.1141","","","0.2736","0.3356","","","","","","1.547","","","","has coordinates","230733","2020-10-21","18:00:00",""
"7156174","20.187","0.002","12.8111","0.0015","19.386","0.003","90","","110.362","0.013","90","","4700.3","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H25.12 O5 S -","- C26 H25.122 O5 S -","- C208 H200.976 O40 S8 -","8","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.0959","0.0587","","","0.1527","0.1989","","","","","","1.106","","","","has coordinates,has disorder","230736","2020-10-21","18:00:00",""
"7156175","10.8783","0.0012","11.1724","0.0013","11.9506","0.0014","103.441","0.01","110.162","0.011","103.53","0.01","1245.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O7 S -","- C24 H21 Cl O7 S -","- C48 H42 Cl2 O14 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.1108","0.0802","","","0.212","0.2512","","","","","","1.031","","","","has coordinates","230736","2020-10-21","18:00:00",""
"7156176","7.753","0.002","14.532","0.004","11.144","0.003","90","","98.574","0.006","90","","1241.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Tong, Feng; Linares-Mendez, Iamnica J; Han, Yi-Fei; Wisner, James A.; Wang, Hong-Bo","Readily functionalized AAA-DDD triply hydrogen-bonded motifs.","Organic & biomolecular chemistry","2018","16","16","2947","2954","10.1039/c8ob00479j","","","0.71073","MoKα","","0.0444","0.0348","","","0.0915","0.1021","","","","","","1.069","","","","has coordinates","230735","2020-10-21","18:00:00",""
"7156177","12.3199","0.0011","22.2918","0.0014","9.1023","0.0009","90","","108.63","0.009","90","","2368.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N O4 P -","- C28 H22 N O4 P -","- C112 H88 N4 O16 P4 -","4","1","","Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Direct C4-H phosphonation of 8-hydroxyquinoline derivatives employing photoredox catalysis and silver catalysis.","Organic & biomolecular chemistry","2018","16","15","2753","2756","10.1039/c8ob00370j","","x-ray","0.71073","MoKα","","0.0895","0.0537","","","0.1154","0.1371","","","","","","1.021","","","","has coordinates","230819","2020-10-21","18:00:00",""
"7156178","9.0578","0.0005","9.3785","0.0005","15.7048","0.0009","103.167","0.001","101.337","0.001","91.84","0.001","1269.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 F3 N4 O6 -","- C25 H27 F3 N4 O6 -","- C50 H54 F6 N8 O12 -","2","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0575","0.0457","","","0.1171","0.1261","","","","","","1.005","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156179","9.7486","0.001","10.5135","0.0011","19.312","0.002","90","","100.75","0.002","90","","1944.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0598","0.046","","","0.1092","0.118","","","","","","1.007","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156180","9.9316","0.0014","9.6118","0.0013","33.373","0.005","90","","97.634","0.004","90","","3157.6","0.8","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br Cl4 N O2 S2 -","- C32 H22 Br Cl4 N O2 S2 -","- C128 H88 Br4 Cl16 N4 O8 S8 -","4","1","","Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei","Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.","Organic & biomolecular chemistry","2018","16","16","3006","3011","10.1039/c8ob00556g","","","0.71073","MoKα","","0.0801","0.0507","","","0.1345","0.1527","","","","","","0.993","","","","has coordinates","230738","2020-10-21","18:00:00",""
"7156181","10.5352","0.0005","5.659","0.0003","20.7179","0.0008","90","","95.495","0.002","90","","1229.5","0.1","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0705","0.043","","","0.1114","0.1304","","","","","","0.985","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156182","10.1088","0.0011","10.1122","0.0011","15.6369","0.0016","106.118","0.004","90.862","0.004","117.901","0.004","1337.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C11H12I2N2","","- C11 H12 I2 N2 -","- C11 H12 I2 N2 -","- C44 H48 I8 N8 -","4","2","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1393","0.0958","","","0.228","0.2484","","","","","","1.088","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156183","8.7463","0.0003","9.1092","0.0003","13.1444","0.0005","90","","90","","90","","1047.24","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0132","0.0126","","","0.0294","0.0296","","","","","","1.058","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156184","4.6419","0.0003","24.9757","0.0017","9.3367","0.0006","90","","97.371","0.002","90","","1073.5","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1274","0.0602","","","0.1125","0.1367","","","","","","1.084","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156185","8.9971","0.0005","8.2161","0.0005","14.939","0.0009","90","","92.864","0.002","90","","1102.93","0.11","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br N2 O -","- C10 H13 Br N2 O -","- C40 H52 Br4 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0613","0.0339","","","0.0646","0.0732","","","","","","1.051","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156186","5.07","0.004","20.668","0.016","16","0.013","90","","93.39","0.02","90","","1674","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cl N3 O -","- C21 H14 Cl N3 O -","- C84 H56 Cl4 N12 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.2245","0.1177","","","0.31","0.3965","","","","","","1.118","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156187","10.0967","0.0003","11.1751","0.0003","13.81","0.0004","90","","104.85","0.003","90","","1506.16","0.08","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","","Fegheh-Hassanpour, Younes; Ebrahim, Faisal; Arif, Tanzeel; Sintim, Herman O.; Claridge, Timothy D. W.; Amin, Nader T.; Hodgson, David M.","On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","16","2876","2884","10.1039/c8ob00435h","","","1.5418","CuKα","","0.0319","0.0299","","0.0803","0.0781","0.0803","","","","","","1.0085","","","","has coordinates","230739","2020-10-21","18:00:00",""
"7156188","13.9735","0.0008","11.3828","0.0006","10.4133","0.0006","90","","109.645","0.001","90","","1559.91","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F5 N O2 S -","- C14 H16 F5 N O2 S -","- C56 H64 F20 N4 O8 S4 -","4","1","","Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.","The control of stereochemistry by the pentafluorosulfanyl group.","Organic & biomolecular chemistry","2018","16","17","3151","3159","10.1039/c7ob03146g","","","0.71073","MoKα","","0.0695","0.0419","","","0.0908","0.1013","","","","","","1.014","","","","has coordinates","230706","2020-10-21","18:00:00",""
"7156189","9.5682","0.0003","18.4465","0.0007","9.7648","0.0004","90","","104.808","0.0017","90","","1666.25","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Mariappan, Arumugam; Das, Krishna Mohan; Jeganmohan, Masilamani","Remote alkylation of N-(quinolin-8-yl)benzamides with alkyl bromides via ruthenium(ii)-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2018","16","18","3419","3427","10.1039/c8ob00581h","","","0.71073","MoKα","","0.0566","0.0406","","","0.0999","0.1116","","","","","","1.042","","","","has coordinates","230828","2020-10-21","18:00:00",""
"7156190","13.248","0.008","11.319","0.007","21.558","0.012","90","","90","","90","","3233","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0916","0.0631","","","0.1493","0.1671","","","","","","0.989","","","","has coordinates","230826","2020-10-21","18:00:00",""
"7156191","8.5808","0.0017","10.449","0.002","27.944","0.006","83.51","0.03","88.58","0.03","66.94","0.03","2290","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O7 -","- C24 H24 Br N O7 -","- C96 H96 Br4 N4 O28 -","4","2","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0974","0.0532","","","0.1193","0.1359","","","","","","1.011","","","","has coordinates,has disorder","230826","2020-10-21","18:00:00",""
"7156192","10.7014","0.0002","14.4421","0.0003","14.1016","0.0004","90","","106.984","0.003","90","","2084.36","0.09","119.99","0.17","119.99","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F N2 O4 -","- C22 H29 F N2 O4 -","- C88 H116 F4 N8 O16 -","4","1","","Aimon, Anthony; Karageorgis, George; Masters, Jacob; Dow, Mark; Craven, Philip G. E.; Ohsten, Martin; Willaume, Anthony; Morgentin, Rémy; Ruiz-Llamas, Nicolas; Lemoine, Hugues; Kalliokoski, Tuomo; Eatherton, Andrew J.; Foley, Daniel J.; Marsden, Stephen P.; Nelson, Adam","Realisation of small molecule libraries based on frameworks distantly related to natural products.","Organic & biomolecular chemistry","2018","16","17","3160","3167","10.1039/c8ob00688a","","x-ray","1.54184","CuKα","","0.045","0.0392","","","0.0939","0.0988","","","","","","1.053","","","","has coordinates","230711","2020-10-21","18:00:00",""
"7156193","8.0151","0.0004","11.4152","0.0005","12.798","0.0006","89.432","0.003","71.763","0.003","86.136","0.003","1109.52","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.1632","0.0701","","","0.2155","0.2979","","","","","","0.95","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156194","7.746","0.0003","11.9902","0.0004","12.4618","0.0004","70.558","0.002","75.621","0.002","79.609","0.002","1051.15","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.117","0.0762","","","0.242","0.2808","","","","","","1.042","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156195","8.6001","0.0001","17.1655","0.0002","9.5808","0.0001","90","","94.473","0.001","90","","1410.06","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C60 H58 N6 O10 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.031","","","0.0697","0.0704","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156196","5.8407","0.0001","14.9477","0.0004","19.3104","0.0006","90","","90","","90","","1685.9","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C68 H68 N4 O20 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0228","0.0226","","","0.0601","0.0602","","","","","","1.108","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156197","14.3941","0.0002","6.9252","0.00011","21.6163","0.0004","90","","94.3263","0.0015","90","","2148.62","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S2 -","- C24 H22 N2 O3 S2 -","- C96 H88 N8 O12 S8 -","4","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0264","0.0253","","","0.0651","0.0657","","","","","","1.038","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156198","10.414","0.0003","15.8099","0.0004","21.1096","0.0005","90","","90","","90","","3475.58","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0552","0.041","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156199","10.3634","0.0002","12.0468","0.0003","21.0449","0.0004","90","","90","","90","","2627.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C112 H96 N16 O8 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.077","0.0798","","","","","","1.019","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156200","5.6439","0.0003","10.3733","0.0003","11.1733","0.0004","88.811","0.003","76.205","0.004","88.281","0.003","634.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C28 H24 N4 O2 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0845","0.0864","","","","","","1.043","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156201","9.13571","0.00013","13.38135","0.00018","30.0335","0.0004","90","","90","","90","","3671.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S2 -","- C19 H21 N O3 S2 -","- C152 H168 N8 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0323","0.0296","","","0.0798","0.0815","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156202","11.8815","0.0012","6.2795","0.0006","23.859","0.003","90","","95.94","0.003","90","","1770.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C84 H64 N8 O12 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0328","0.0294","","","0.0793","0.081","","","","","","1.058","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156203","11.0765","0.0011","18.7037","0.0019","17.8788","0.0018","90","","91.808","0.002","90","","3702.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C168 H128 N16 O24 S16 -","8","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0373","0.0315","","","0.0805","0.0829","","","","","","1.049","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156204","9.2019","0.0006","33.434","0.002","36.933","0.003","90","","90","","90","","11362.7","1.4","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C93 H151 N25 O23 -","- C74 H123 N21 O18 -","- C296 H492 N84 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","x-ray","1.54184","CuKα","","0.1715","0.1324","","","0.3416","0.3761","","","","","","1.308","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156205","9.0696","0.0001","21.623","0.0003","23.9383","0.0004","111.419","0.001","95.745","0.001","98.514","0.001","4261.16","0.11","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C142 H233 N33 O37 -","- C142 H231 N33 O37 -","- C142 H231 N33 O37 -","1","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0944","0.0802","","","0.205","0.2161","","","","","","1.001","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156206","24.5384","0.0013","8.9796","0.0005","40.3241","0.0019","90","","105.026","0.005","90","","8581.4","0.8","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C69 H113 N17 O18 -","- C69 H113 N17 O18 -","- C276 H452 N68 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0937","0.0629","","","0.146","0.1651","","","","","","1.031","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156207","10.1857","0.0002","17.9944","0.0004","46.7774","0.0009","90","","90","","90","","8573.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H114 N18 O17 -","- C71 H114 N18 O17 -","- C284 H456 N72 O68 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0769","0.066","","","0.1848","0.1985","","","","","","0.84","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156208","29.04","0.02","33.47","0.02","10.3","0.01","90","","90","","90","","10011","13","110","2","110","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H133 N19 O19 -","- C78 H129 N19 O19 -","- C312 H516 N76 O76 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","0.92","","","0.1092","0.0968","","","0.2663","0.2748","","","","","","1.635","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156209","12.0625","0.0003","35.0403","0.0008","31.1624","0.0008","90","","100.906","0.003","90","","12933.6","0.6","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C184 H302 N50 O46 -","- C184 H302 N50 O46 -","- C368 H604 N100 O92 -","2","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0902","0.0719","","","0.1899","0.2112","","","","","","1.051","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156210","11.0806","0.0004","8.8522","0.0004","17.7829","0.0006","90","","102.82","0.0018","90","","1700.8","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce H16 N7 O19 -","- Ce H4 N7 O19 -","- Ce4 H16 N28 O76 -","4","0.5","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0516","0.044","","","0.1119","0.1151","","","","","","1.161","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156211","5.5311","0.0007","13.8941","0.0017","23.168","0.003","90","","90","","90","","1780.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O12 -","- C14 H19 N O12 -","- C56 H76 N4 O48 -","4","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0715","0.0416","","","0.0728","0.0827","","","","","","1.016","","","","has coordinates","230726","2020-10-21","18:00:00",""
"7156212","14.9257","0.0016","5.4551","0.0006","21.093","0.002","90","","95.99","0.007","90","","1708","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H27 N O12 -","- C34 H27 N O12 -","- C68 H54 N2 O24 -","2","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.1668","0.0789","","","0.1695","0.2084","","","","","","1.035","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156213","10.3289","0.0003","13.752","0.0004","18.4669","0.0007","90","","90","","90","","2623.09","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N4 O3 -","- C28 H22 Cl F3 N4 O3 -","- C112 H88 Cl4 F12 N16 O12 -","4","1","","Luo, Yuan; Xie, Ke-Xin; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","An organocatalytic asymmetric Mannich reaction of pyrazoleamides with cyclic trifluoromethyl ketimines: enantioselective access to dihydroquinazolinone skeletons.","Organic & biomolecular chemistry","2018","16","18","3372","3375","10.1039/c8ob00707a","","","0.71073","MoKα","","0.064","0.0431","","","0.0942","0.104","","","","","","1.033","","","","has coordinates","230824","2020-10-21","18:00:00",""
"7156214","8.2863","0.001","8.959","0.0011","10.6474","0.0012","87.057","0.01","70.068","0.011","71.08","0.011","701.38","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.0685","0.0452","","","0.1231","0.157","","","","","","0.966","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156215","7.2549","0.0016","20.063","0.005","14.429","0.004","90","","101.37","0.03","90","","2059","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 S -","- C25 H18 O4 S -","- C100 H72 O16 S4 -","4","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.1532","0.085","","","0.1909","0.2527","","","","","","1.121","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156216","9.05","0.004","10.2","0.004","27.541","0.011","89.877","0.006","93.866","0.006","111.112","0.005","2365.6","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","2","","Tang, Xue; Gao, Ying-Juan; Deng, Hui-Qing; Lei, Jin-Ju; Liu, Si-Wei; Zhou, Lin; Shi, Yin; Liang, Hao; Qiao, Jie; Guo, Li; Han, Bo; Cui, Hai-Lei","Catalyst-free [3 + 2] cyclization of dihydroisoquinoline imines and isatin-derived Morita-Baylis-Hillman carbonates via 1,5-electrocyclization: synthesis of tetrahydroisoquinoline-fused spirooxindoles.","Organic & biomolecular chemistry","2018","16","18","3362","3366","10.1039/c8ob00749g","","","0.71073","MoKα","","0.1443","0.1072","","","0.278","0.2967","","","","","","1.06","","","","has coordinates","230825","2020-10-21","18:00:00",""
"7156217","20.451","0.002","29.075","0.003","9.8797","0.0009","90","","103.894","0.002","90","","5702.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N2 O14 S3 -","- C60 H50 N2 O14 S3 -","- C240 H200 N8 O56 S12 -","4","1","","Mishra, Richa; Jana, Asim; Panday, Anoop Kumar; Choudhury, Lokman H.","Synthesis of fused pyrroles containing 4-hydroxycoumarins by regioselective metal-free multicomponent reactions.","Organic & biomolecular chemistry","2018","16","17","3289","3302","10.1039/c8ob00161h","","","0.71073","MoKα","","0.0735","0.0647","","","0.184","0.1938","","","","","","1.06","","","","has coordinates,has disorder","230707","2020-10-21","18:00:00",""
"7156218","13.4091","0.0003","7.5272","0.0001","13.3823","0.0003","90","","114.262","0.003","90","","1231.41","0.05","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-2-phenylethyl)-4-methyl-2,5-dihydrothiophene-1,1-dioxide","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Dang, Hang T.; Nguyen, Vu T.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Efficient synthesis of 3-sulfolenes from allylic alcohols and 1,3-dienes enabled by sodium metabisulfite as a sulfur dioxide equivalent.","Organic & biomolecular chemistry","2018","16","19","3605","3609","10.1039/c8ob00745d","","x-ray","0.71073","MoKα","","0.0664","0.0601","","","0.1226","0.1292","","","","","","1.054","","","","has coordinates","230728","2020-10-21","18:00:00",""
"7156219","39.247","0.004","12.6465","0.0011","21.5421","0.0019","90","","93.847","0.002","90","","10668.1","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl2 N6 Ni O S2 -","- C56 H58 Cl2 N6 Ni O S2 -","- C448 H464 Cl16 N48 Ni8 O8 S16 -","8","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.1045","0.0701","","","0.1767","0.2007","","","","","","1.066","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156220","26.289","0.002","15.6605","0.0014","28.462","0.002","90","","109.794","0.002","90","","11025.4","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl2 N4 Ni S2 Si -","- C58 H68 Cl2 N4 Ni S2 Si -","- C464 H544 Cl16 N32 Ni8 S16 Si8 -","8","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1506","0.1419","","","0.3897","0.4066","","","","","","1.646","","","","has coordinates","230727","2020-10-21","18:00:00",""
"7156221","14.218","0.005","20.122","0.006","21.975","0.007","69.445","0.003","72.044","0.003","82.393","0.003","5598","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H109 N9 Ni O S2 Zn -","- C103 H109 N9 Ni O S2 Zn -","- C206 H218 N18 Ni2 O2 S4 Zn2 -","2","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1556","0.1004","","","0.278","0.3328","","","","","","1.039","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156222","36.962","0.008","14.668","0.003","40.822","0.009","90","","91.783","0.002","90","","22121","8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N6 S2 -","- C58 H56 N6 S2 -","- C928 H896 N96 S32 -","16","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.2409","0.2034","","","0.4944","0.5174","","","","","","1.071","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156223","34.85","0.03","13.785","0.011","40.21","0.03","90","","92.378","0.01","90","","19301","3","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H52 N8 -","- C54 H52 N8 -","- C864 H832 N128 -","16","2","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.2429","0.1812","","","0.3842","0.4153","","","","","","1.142","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156224","9.3021","0.0009","11.1033","0.0011","11.8279","0.0011","81.577","0.002","80.92","0.001","72.384","0.001","1143.41","0.19","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl2 F3 N O2 -","- C26 H22 Cl2 F3 N O2 -","- C52 H44 Cl4 F6 N2 O4 -","2","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.0563","0.0512","","","0.1353","0.1395","","","","","","1.028","","","","has coordinates,has disorder","230731","2020-10-21","18:00:00",""
"7156225","9.33","0.004","11.138","0.005","19.656","0.008","90","","95.194","0.008","90","","2034.2","1.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F3 N O2 -","- C25 H20 F3 N O2 -","- C100 H80 F12 N4 O8 -","4","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.1071","0.0613","","","0.1491","0.1835","","","","","","1.024","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156226","8.7429","0.0004","13.5554","0.0006","21.9361","0.0009","90","","90","","90","","2599.7","0.2","150","2","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","1.54178","CuKα","","0.0411","0.0394","","","0.1011","0.1026","","","","","","1.094","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156227","18.8659","0.001","10.1158","0.0004","8.8637","0.0005","90","","99.138","0.006","90","","1670.11","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N3 -","- C21 H12 Br N3 -","- C84 H48 Br4 N12 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0792","0.0473","","","0.1155","0.1341","","","","","","1.001","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156228","9.2421","0.0005","17.3468","0.0011","28.1793","0.0014","90","","90","","90","","4517.7","0.4","295","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C224 H176 N32 O16 -","8","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.2187","0.0624","","","0.1014","0.152","","","","","","0.932","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156229","13.2575","0.0007","15.3061","0.0007","7.8541","0.0003","90","","98.654","0.005","90","","1575.61","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0909","0.0524","","","0.1202","0.1391","","","","","","1.002","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156230","9.463","0.0012","9.9221","0.0011","13.5665","0.0016","102.387","0.01","94.259","0.01","98.976","0.01","1221.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl N -","- C15 H12 Cl N -","- C60 H48 Cl4 N4 -","4","2","","Gattu, Radhakrishna; Bhattacharjee, Suchandra; Mahato, Karuna; Khan, Abu T.","Electronic effect of substituents on anilines favors 1,4-addition to trans-β-nitrostyrenes: access to N-substituted 3-arylindoles and 3-arylindoles.","Organic & biomolecular chemistry","2018","16","20","3760","3770","10.1039/c8ob00736e","","","0.71073","MoKα","","0.132","0.0616","","","0.1418","0.2047","","","","","","1.031","","","","has coordinates","230769","2020-10-21","18:00:00",""
"7156231","10.457","0.006","18.104","0.011","11.424","0.007","90","","98.239","0.011","90","","2140","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F2 N2 O4 S -","- C24 H20 F2 N2 O4 S -","- C96 H80 F8 N8 O16 S4 -","4","1","","Yang, Xing; Zhang, Feng; Zhou, Yang; Huang, Yi-Yong","Neighboring phenolic group-activated gem-difluoroallylboration of imines for the catalyst-free synthesis of gem-difluorohomoallylamines.","Organic & biomolecular chemistry","2018","16","18","3367","3371","10.1039/c8ob00541a","","","0.71073","MoKα","","0.0969","0.0596","","","0.1309","0.1482","","","","","","1.052","","","","has coordinates","230823","2020-10-21","18:00:00",""
"7156233","11.8242","0.0005","5.6357","0.0002","20.6262","0.0008","90","","99.544","0.004","90","","1355.46","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H11 N3 O -","- C18 H11 N3 O -","- C72 H44 N12 O4 -","4","2","","Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun","Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles.","Organic & biomolecular chemistry","2018","16","19","3572","3575","10.1039/c8ob00833g","","x-ray","1.54184","CuKα","","0.1427","0.1363","","","0.3392","0.3537","","","","","","1.564","","","","has coordinates","230730","2020-10-21","18:00:00",""
"7156234","10.7721","0.0007","9.4199","0.0006","14.3014","0.0008","90","","107.313","0.004","90","","1385.44","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0634","0.0429","","","0.1144","0.1255","","","","","","1.022","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156235","6.4056","0.0002","22.7204","0.0007","9.3434","0.0003","90","","100.885","0.002","90","","1335.35","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0332","0.0258","","","0.0762","0.0914","","","","","","1.201","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156236","8.9209","0.0003","9.161","0.0003","12.7949","0.0004","101.938","0.002","106.434","0.003","107.197","0.003","908.67","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C52 H32 N4 O2 -","2","1","","Sun, Hongwei; Tang, Shi; Li, Dengke; Zhou, Yali; Huang, Jinbo; Zhu, Qiang","Cascade double isocyanide insertion and C-N coupling of 2-iodo-2'-isocyano-1,1'-biphenyls.","Organic & biomolecular chemistry","2018","16","21","3893","3896","10.1039/c8ob00956b","","","1.54184","CuKα","","0.0527","0.0457","","","0.1501","0.1563","","","","","","1.214","","","","has coordinates","230832","2020-10-21","18:00:00",""
"7156237","5.834","0.0006","36.798","0.004","8.5249","0.0009","90","","103.941","0.003","90","","1776.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhang, Wenzheng; Xu, Guangyang; Qiu, Lin; Sun, Jiangtao","Gold-catalyzed C5-alkylation of indolines and sequential oxidative aromatization: access to C5-functionalized indoles.","Organic & biomolecular chemistry","2018","16","21","3889","3892","10.1039/c8ob00826d","","","0.71073","MoKα","","0.1431","0.1017","","","0.2102","0.2301","","","","","","1.12","","","","has coordinates,has disorder","230833","2020-10-21","18:00:00",""
"7156238","21.157","0.006","6.917","0.002","20.174","0.006","90","","98","0.03","90","","2923.6","1.5","293","","293","","","","","","","","see text","5","C 1 2 1","C 2y","5","compound 23","(1R,R~p~)-(1',3',5'(10')-estratrien-3'-ylmethyl) ethyl (1-hydroxy-2-methylsulfanyl-1-phenylethyl)phosphonate","","- C30 H41 O4 P S -","- C30 H41 O4 P S -","- C120 H164 O16 P4 S4 -","4","1","","Prechelmacher, Susanne; Mereiter, Kurt; Hammerschmidt, Friedrich","The α-hydroxyphosphonate-phosphate rearrangement of a noncyclic substrate - some new observations.","Organic & biomolecular chemistry","2018","16","19","3672","3680","10.1039/c8ob00419f","","x-ray","0.71073","MoKα","","0.0558","0.0441","","","0.1031","0.1197","","","","","","1.067","","","","has coordinates","230729","2020-10-21","18:00:00",""
"7156239","13.339","0.005","18.203","0.006","18.304","0.007","106.445","0.004","110.829","0.006","95.262","0.006","3891","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H100 N2 O3 -","- C99 H100 N2 O3 -","- C198 H200 N4 O6 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.2317","0.0936","","","0.2036","0.286","","","","","","1.019","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156240","14.816","0.005","28.03","0.008","12.06","0.004","90","","113.633","0.007","90","","4588","3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 N3 O5 S -","- C56 H47 N3 O5 S -","- C224 H188 N12 O20 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0503","0.036","","","0.0871","0.0952","","","","","","1.014","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156241","11.365","0.002","13.805","0.002","25.674","0.004","90","","92.439","0.004","90","","4024.4","1.1","143","","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl3 N O -","- C47 H44 Cl3 N O -","- C188 H176 Cl12 N4 O4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.1071","0.0671","","","0.1681","0.194","","","","","","1.046","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156242","9.7851","0.0011","10.7442","0.0014","22.106","0.003","103.099","0.007","95.707","0.007","98.173","0.007","2219.6","0.5","123","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 Cl3 F3 N O3 S -","- C50 H41 Cl3 F3 N O3 S -","- C100 H82 Cl6 F6 N2 O6 S2 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0712","0.0614","","","0.1657","0.1725","","","","","","1.053","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156243","14.744","0.003","9.8309","0.0015","25.091","0.004","90","","94.077","0.005","90","","3627.7","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O3 S -","- C44 H40 N2 O3 S -","- C176 H160 N8 O12 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0618","0.0466","","","0.1175","0.1255","","","","","","1.037","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156244","9.0994","0.0006","17.118","0.001","11.3594","0.0009","90","","98.095","0.002","90","","1751.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C62 H44 B8 Cl4 F16 N16 O4 S4 -","2","0.5","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54178","CuKα","","0.1046","0.0831","","","0.237","0.2575","","","","","","1.082","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156245","10.6491","0.0007","22.7467","0.0013","17.0946","0.001","90","","104.248","0.007","90","","4013.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C156 H104 B16 Cl8 F32 N32 O8 S8 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1126","0.0678","","","0.1705","0.2083","","","","","","1.035","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156246","13.7279","0.0018","8.6809","0.0013","14.7591","0.0017","90","","105.207","0.012","90","","1697.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F2 N4 S -","- C19 H11 B F2 N4 S -","- C76 H44 B4 F8 N16 S4 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1008","0.0524","","","0.0979","0.1272","","","","","","1.046","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156247","11.0689","0.0006","10.5398","0.0005","25.7733","0.0015","90","","109.097","0.005","90","","2841.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 B F2 N4 O0 S -","- C15 H9 B F2 N4 S -","- C120 H72 B8 F16 N32 S8 -","8","2","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54184","CuKα","","0.16","0.0834","","","0.2111","0.3081","","","","","","1.038","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156248","6.4849","0.0005","7.9199","0.0006","21.9097","0.0017","90","","90","","90","","1125.28","0.15","205","","205","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Wang, Zheng; Xu, Ming-Hua","Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.","Organic & biomolecular chemistry","2018","16","25","4633","4640","10.1039/c8ob00840j","","","1.54178","CuKα","","0.0273","0.0271","","","0.0676","0.0677","","","","","","1.096","","","","has coordinates","230754","2020-10-21","18:00:00",""
"7156249","19.0398","0.0014","8.7917","0.0005","15.4377","0.0011","90","","103.834","0.007","90","","2509.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O6 S -","- C24 H33 N3 O6 S -","- C96 H132 N12 O24 S4 -","4","1","","Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","Mixed carboxylic-sulfonic anhydride in reaction with imines: a straightforward route to water-soluble β-lactams via a Staudinger-type reaction.","Organic & biomolecular chemistry","2018","16","21","3989","3998","10.1039/c8ob00768c","","","1.5418","CuKα","","0.0673","0.0557","","","0.1369","0.148","","","","","","1.02","","","","has coordinates,has disorder","230835","2020-10-21","18:00:00",""
"7156250","9.843","0.0009","12.3941","0.0011","13.6713","0.0014","75.947","0.006","81.791","0.006","66.836","0.005","1485.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O4 -","- C38 H31 N O4 -","- C76 H62 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1355","0.0616","","","0.1288","0.1529","","","","","","1.022","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156251","12.6224","0.0006","13.4198","0.0005","18.628","0.0007","69.695","0.001","86.767","0.001","88.299","0.001","2954.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O5 -","- C38 H31 N O5 -","- C152 H124 N4 O20 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2026","0.1272","","","0.3182","0.3784","","","","","","1.083","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156252","14.5654","0.0007","22.655","0.0011","8.9813","0.0004","90","","103.56","0.0015","90","","2881","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl N O4 -","- C37 H28 Cl N O4 -","- C148 H112 Cl4 N4 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.112","0.0566","","","0.1165","0.1358","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156253","9.215","0.002","22.358","0.006","17.565","0.004","90","","111.492","0.011","90","","3367.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2268","0.0925","","","0.2453","0.3002","","","","","","1.024","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156254","8.9074","0.0018","24.06","0.005","11.549","0.002","90","","112.68","","90","","2283.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C116 H108 N4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2624","0.1687","","","0.4176","0.4641","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156255","8.7048","0.0008","19.6596","0.0019","22.0693","0.0019","90","","90","","90","","3776.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C176 H160 Br8 N8 O24 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1146","0.0516","","","0.113","0.1455","","","","","","1.06","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156256","17.485","0.005","23.214","0.007","13.752","0.006","90","","90.437","0.013","90","","5582","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C224 H192 N16 O40 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2778","0.1179","","","0.2924","0.3805","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156257","15.2237","0.0016","12.7126","0.0013","15.0411","0.0015","90","","119.6","","90","","2531.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N2 O3 -","- C28 H26 Cl2 N2 O3 -","- C112 H104 Cl8 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1457","0.0662","","","0.174","0.2021","","","","","","0.973","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156258","7.3088","0.0004","12.204","0.0006","12.7704","0.0006","110.563","0.0015","96.8007","0.0014","96.6011","0.0016","1043.87","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.07","0.0461","","","0.103","0.1143","","","","","","1.031","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156259","12.2787","0.0015","8.6166","0.0011","16.4475","0.0019","90","","103.03","0.005","90","","1695.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.0823","0.0509","","","0.1071","0.1188","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156260","9.6235","0.0006","13.3554","0.0009","16.7938","0.0009","90","","90","","90","","2158.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping","Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.","Organic & biomolecular chemistry","2018","16","20","3801","3808","10.1039/c7ob03067c","","","0.71073","MoKα","","0.1153","0.0646","","","0.1298","0.1635","","","","","","1.046","","","","has coordinates","230768","2020-10-21","18:00:00",""
"7156261","10.1121","0.0007","10.442","0.0006","12.0205","0.0014","95.695","0.008","91.086","0.008","97.671","0.005","1251.02","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 Cl N2 O -","- C11 H21 Cl N2 O -","- C44 H84 Cl4 N8 O4 -","4","2","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.1018","0.0684","","","0.1965","0.2128","","","","","","0.979","","","","has coordinates","230600","2020-10-21","18:00:00",""
"7156262","11.319","0.0018","10.9194","0.0016","7.7658","0.001","90","","90.269","0.013","90","","959.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.0992","0.0857","","","0.2083","0.2182","","","","","","1.119","","","","has coordinates,has disorder","230600","2020-10-21","18:00:00",""
"7156263","10.2591","0.0006","9.6617","0.0005","30.5377","0.0016","90","","90","","90","","3026.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Febrifugine","Febrifugine","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C128 H152 N24 O24 -","8","1","","Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.","A convergent strategy towards febrifugine and related compounds.","Organic & biomolecular chemistry","2018","16","22","4159","4169","10.1039/c8ob00935j","","","1.54178","CuKα","","0.1345","0.0784","","","0.0831","0.0889","","","","","","1.517","","","","has coordinates","230598","2020-10-21","18:00:00",""
"7156264","10.585","0.002","8.8309","0.0018","15.039","0.003","90","","96.741","0.003","90","","1396.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N4 -","- C15 H15 Cl N4 -","- C60 H60 Cl4 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin","Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.","Organic & biomolecular chemistry","2018","16","23","4223","4226","10.1039/c8ob00904j","","","0.71073","MoKα","","0.0784","0.0582","","","0.1829","0.2028","","","","","","1.005","","","","has coordinates","230830","2020-10-21","18:00:00",""
"7156265","40.319","0.005","8.136","0.005","8.974","0.005","90","0.005","90","0.005","90","0.005","2944","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H26 Br2 Cl0 N4 O2 Pd -","- C30 H26 Br2 N4 O2 Pd -","- C120 H104 Br8 N16 O8 Pd4 -","4","1","","Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan","Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.","Organic & biomolecular chemistry","2018","16","23","4357","4364","10.1039/c8ob00616d","","","0.71073","MoKα","","0.0421","0.0342","","","0.0708","0.0738","","","","","","1.075","","","","has coordinates","230831","2020-10-21","18:00:00",""
"7156266","21.0973","0.0005","11.579","0.0003","14.9601","0.0004","90","","109.03","0.002","90","","3454.81","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H112 N2 O8 P2 -","- C72 H112 N2 O8 P2 -","- C144 H224 N4 O16 P4 -","2","0.5","","Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A.","Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers.","Organic & biomolecular chemistry","2018","16","22","4183","4190","10.1039/c8ob00819a","","","0.71073","MoKα","","0.1938","0.154","","","0.4485","0.4875","","","","","","1.904","","","","has coordinates,has disorder","230597","2020-10-21","18:00:00",""
"7156267","5.4408","0.0004","10.1935","0.0009","27.458","0.002","90","","91.789","0.008","90","","1522.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng","The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.","Organic & biomolecular chemistry","2018","16","24","4439","4442","10.1039/c8ob00899j","","","0.71073","MoKα","","0.1325","0.0649","","","0.1389","0.1798","","","","","","1.028","","","","has coordinates","230583","2020-10-21","18:00:00",""
"7156268","10.215","0.0009","11.4694","0.0012","12.0747","0.0013","115.285","0.01","93.898","0.008","92.846","0.008","1271.3","0.2","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H32 Br O4 P -","- C24 H32 Br O4 P -","- C48 H64 Br2 O8 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.2108","0.0793","","","0.193","0.2998","","","","","","0.979","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156269","9.947","0.003","15.743","0.004","18.185","0.005","90","","90","","90","","2847.7","1.4","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 O4 P -","- C27 H39 N2 O4 P -","- C108 H156 N8 O16 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.0719","0.0492","","","0.1194","0.1284","","","","","","0.949","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156270","7.8543","0.0005","20.6582","0.0009","8.3912","0.0005","90","","116.689","0.008","90","","1216.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H Br0 N O -","- C2.6087 Br0.173913 O0.347826 -","- C60 Br4 O8 -","23","5.75","","Wang, Rui-Xiang; Yuan, Si-Tian; Liu, Jin-Biao; Wu, Jie; Qiu, Guanyinsheng","Regioselective 5-exo-dig oxy-cyclization of 2-alkynylbenzamide for the synthesis of isobenzofuran-1-imines and isobenzofuran.","Organic & biomolecular chemistry","2018","16","24","4501","4508","10.1039/c8ob00779a","","x-ray","1.54184","CuKα","","0.2157","0.2119","","","0.6061","0.6139","","","","","","6.194","","","","has coordinates","230584","2020-10-21","18:00:00",""
"7156271","4.568","0.0003","16.1861","0.0008","15.8035","0.001","90","","115.336","0.007","90","","1056.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","You, Chang; Yuan, Tingting; Huang, Yanzhen; Pi, Chao; Wu, Yangjie; Cui, Xiuling","Rhodium-catalyzed regioselective C8-H amination of quinoline N-oxides with trifluoroacetamide at room temperature.","Organic & biomolecular chemistry","2018","16","25","4728","4733","10.1039/c8ob01108g","","x-ray","1.54184","CuKα","","0.0513","0.0438","","","0.131","0.1427","","","","","","1.04","","","","has coordinates,has disorder","230758","2020-10-21","18:00:00",""
"7156272","9.2521","0.0005","9.8028","0.0005","9.9294","0.0005","75.679","0.001","88.544","0.002","79.757","0.002","858.51","0.08","120","2","120.05","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Chen, Rongxiang; Ogunlana, Abosede Adejoke; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Bao, Xiaoguang; Wan, Xiaobing","In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles.","Organic & biomolecular chemistry","2018","16","25","4683","4687","10.1039/c8ob01067f","","","0.71073","MoKα","","0.0427","0.0368","","","0.1098","0.1212","","","","","","1.151","","","","has coordinates","230753","2020-10-21","18:00:00",""
"7156273","6.2246","0.0002","26.4216","0.0012","8.1454","0.0004","90","","93.774","0.003","90","","1336.72","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe","Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.","Organic & biomolecular chemistry","2018","16","25","4688","4700","10.1039/c8ob01065j","","","1.54178","CuKα","","0.1035","0.0902","","","0.2406","0.2501","","","","","","1.117","","","","has coordinates","230752","2020-10-21","18:00:00",""
"7156274","10.5259","0.0011","10.5345","0.0011","10.834","0.0011","91.068","0.006","104.536","0.007","100.359","0.007","1141.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","1.54187","CuKα","","0.1098","0.0839","","","0.2221","0.2507","","","","","","1.133","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156275","11.8735","0.0003","18.6709","0.0004","11.878","0.0003","90","","90","","90","","2633.22","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 N3 O4 S -","- C31 H27 N3 O4 S -","- C124 H108 N12 O16 S4 -","4","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","0.71073","MoKα","","0.0315","0.0295","","","0.0712","0.0723","","","","","","1.038","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156276","7.5123","0.0003","12.1628","0.0006","12.1719","0.0004","63.522","0.001","79.736","0.001","89.681","0.002","976.11","0.07","303","2","303","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br O4 S -","- C20 H19 Br O4 S -","- C40 H38 Br2 O8 S2 -","2","1","","Hou, Yading; Zhang, Yuwen; Tong, Xiaofeng","Phosphine-catalysed α-umpolung addition of nucleophiles to δ-acetoxy allenoates: stereoselective synthesis of 2,4-dienoates.","Organic & biomolecular chemistry","2018","16","29","5245","5249","10.1039/c8ob00933c","","","0.71073","MoKα","","0.0978","0.0427","","","0.0926","0.1121","","","","","","1.016","","","","has coordinates","230576","2020-10-21","18:00:00",""
"7156277","17.9063","0.0005","21.5998","0.0006","33.6902","0.0009","90","","90","","90","","13030.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 6a","[nBu4N][(N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-2-methyl?propan?imid-amidato-kappaN)(phenyl)borate]","","- C32 H52 B N3 O2 -","- C32 H52 B N3 O2 -","- C512 H832 B16 N48 O32 -","16","2","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.1221","0.074","","","0.2023","0.2436","","","","","","1.028","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156278","8.9","0.0002","9.5626","0.0003","15.9864","0.0005","90","","98.4476","0.001","90","","1345.8","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 7","3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0409","0.0403","","","0.1058","0.1064","","","","","","1.034","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156279","9.7871","0.0003","17.5209","0.0004","19.0833","0.0005","90","","94.1963","0.0016","90","","3263.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 6b","Tetra-n-butylammonium {N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-benzene?carboximidamidato-kappaN}(phenyl)borate","","- C35 H50 B N3 O2 -","- C35 H50 B N3 O2 -","- C140 H200 B4 N12 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0727","0.0624","","","0.1706","0.1793","","","","","","1.051","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156280","12.7713","0.0002","7.9352","0.00014","17.9462","0.0003","90","","94.7903","0.0007","90","","1812.37","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 2","4-(2-methyl-4-phenyl-1,3,5,2-oxadiazaborol-3(2H)-yl)benzenesulfonamide","","- C17 H21 B N3 O3 S -","- C17 H21 B N3 O3 S -","- C68 H84 B4 N12 O12 S4 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0579","0.0553","","","0.1678","0.1704","","","","","","1.08","","","","has coordinates,has disorder","230703","2020-10-21","18:00:00",""
"7156281","5.6897","0.0003","11.2486","0.0005","45.457","0.002","90","","90","","90","","2909.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Br N O4 S -","- C28 H44 Br N O4 S -","- C112 H176 Br4 N4 O16 S4 -","4","1","","Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos","Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.","Organic & biomolecular chemistry","2018","16","25","4650","4658","10.1039/c8ob01139g","","","0.71073","MoKα","","0.0865","0.0663","","","0.1092","0.117","","","","","","1.154","","","","has coordinates","230755","2020-10-21","18:00:00",""
"7156282","19.497","0.005","8.597","0.002","19.553","0.004","90","","90","","90","","3277.4","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","","Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.","Organic & biomolecular chemistry","2018","16","26","4840","4848","10.1039/c8ob01152d","","","0.71073","MoKα","","0.053","0.044","","","0.1133","0.1199","","","","","","1.047","","","","has coordinates","230700","2020-10-21","18:00:00",""
"7156283","12.1505","0.0014","10.471","0.0013","10.2881","0.0014","90","","90","","90","","1308.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 F2 N4 O8 -","- C10 H10 F2 N4 O8 -","- C40 H40 F8 N16 O32 -","4","0.5","","Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun","Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.","Organic & biomolecular chemistry","2018","16","26","4784","4788","10.1039/c8ob01140k","","","0.71073","MoKα","","0.0593","0.0509","","","0.1354","0.142","","","","","","1.067","","","","has coordinates","230699","2020-10-21","18:00:00",""
"7156284","25.58","0.02","7.18","0.005","16.94","0.015","90","","125.27","0.03","90","","2540","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N2 O3 S -","- C25 H38 N2 O3 S -","- C100 H152 N8 O12 S4 -","4","1","","Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.","Organic & biomolecular chemistry","2018","16","26","4807","4815","10.1039/c8ob01074a","","","0.71073","MoKα","","0.0631","0.052","","","0.1416","0.1499","","","","","","1.047","","","","has coordinates","230702","2020-10-21","18:00:00",""
"7156285","7.3579","0.0003","8.8158","0.0004","15.8511","0.0007","85.431","0.001","88.543","0.001","72.739","0.001","978.77","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Br N3 O5 S -","- C19 H16 Br N3 O5 S -","- C38 H32 Br2 N6 O10 S2 -","2","1","","Zhao, Mei-Xin; Dong, Zhi-Wen; Zhu, Guang-Yu; Zhao, Xiao-Li; Shi, Min","Diastereo- and enantioselective Mannich/cyclization cascade reaction of isocyanoacetates with cyclic sulfamide ketimines by cinchona alkaloid squaramide/AgOAc cooperative catalysis.","Organic & biomolecular chemistry","2018","16","25","4641","4649","10.1039/c8ob01090k","","","0.71073","MoKα","","0.0397","0.0342","","","0.0907","0.0941","","","","","","1.057","","","","has coordinates","230756","2020-10-21","18:00:00",""
"7156286","10.1449","0.0002","11.6133","0.0003","40.0056","0.0009","90","","90","","90","","4713.29","0.19","302","2","301.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming","Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.","Organic & biomolecular chemistry","2018","16","27","4996","5005","10.1039/c8ob01229f","","","1.54178","CuKα","","0.0668","0.051","","","0.1284","0.1408","","","","","","1.021","","","","has coordinates","230618","2020-10-21","18:00:00",""
"7156287","10.471","0.004","10.038","0.003","13.551","0.005","90","","101.028","0.005","90","","1398","0.9","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","","Wang, Qijun; Wang, Chang; Shi, Wangyu; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed diastereoselective [3 + 2] cycloaddition of vinylcyclopropanes with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2018","16","26","4881","4887","10.1039/c8ob01231h","","","0.71073","MoKα","","0.0595","0.0545","","","0.124","0.1274","","","","","","1.138","","","","has coordinates","230701","2020-10-21","18:00:00",""
"7156288","6.2383","0.0001","15.367","0.0002","32.9494","0.0005","90","","90","","90","","3158.66","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl N3 Ni O4 -","- C36 H40 Cl N3 Ni O4 -","- C144 H160 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.","Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.","Organic & biomolecular chemistry","2018","16","27","4968","4972","10.1039/c8ob00963e","","x-ray","1.54184","CuKα","","0.0308","0.0288","","","0.0691","0.0702","","","","","","1.043","","","","has coordinates","230624","2020-10-21","18:00:00",""
"7156289","10.287","0.002","11.291","0.002","20.866","0.004","90","","90","","90","","2423.6","0.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hsu, Day-Shin; Liou, Chang-Yan","Total synthesis and structural revision of (±)-nidemone.","Organic & biomolecular chemistry","2018","16","27","4990","4995","10.1039/c8ob01207e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1168","0.1315","","","","","","1.09","","","","has coordinates","230622","2020-10-21","18:00:00",""
"7156290","14.1176","0.0003","22.1778","0.0004","11.231","0.0002","90","","100.087","0.0019","90","","3462.05","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F24 N4 P4 -","- C56 H40 F24 N4 P4 -","- C112 H80 F48 N8 P8 -","2","0.5","","Chen, Long; Lim, Kate J. C.; Babra, Tahkur S.; Taylor, James O.; PiŽl, Martin; Evans, Robert; Chippindale, Ann M.; Hartl, František; Colquhoun, Howard M.; Greenland, Barnaby W.","A macrocyclic receptor containing two viologen species connected by conjugated terphenyl groups.","Organic & biomolecular chemistry","2018","16","27","5006","5015","10.1039/c8ob00919h","","","1.5418","CuKα","","0.0883","0.076","","0.0895","0.0847","0.083","","","","","","0.9403","","","","has coordinates","230621","2020-10-21","18:00:00",""
"7156291","23.0931","0.0006","6.0038","0.0002","29.114","0.0007","90","","99.674","0.001","90","","3979.15","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C168 H224 N16 O16 -","8","1","","Wei, Yuanyuan; Wang, Jie; Wang, Yajun; Yao, Xiaoqiang; Yang, Caixia; Huo, Congde","Auto-oxidation promoted sp<sup>3</sup> C-H arylation of glycine derivatives.","Organic & biomolecular chemistry","2018","16","27","4985","4989","10.1039/c8ob01068d","","","0.71073","MoKα","","0.0737","0.0552","","","0.1524","0.1624","","","","","","0.986","","","","has coordinates","230625","2020-10-21","18:00:00",""
"7156292","8.8458","0.0007","12.0478","0.0009","13.9043","0.001","89.408","0.006","83.302","0.006","72.134","0.007","1400.22","0.19","108.5","0.5","108.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 B Cl2 F4 N2 -","- C31 H25 B Cl2 F4 N2 -","- C62 H50 B2 Cl4 F8 N4 -","2","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0865","0.0502","","","0.0968","0.1089","","","","","","1.016","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156293","7.5213","0.0002","16.0289","0.0005","17.7564","0.0006","90","","91.742","0.003","90","","2139.69","0.11","135","0.1","135","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","2","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0358","0.0316","","","0.0487","0.0504","","","","","","1.011","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156294","13.7632","0.0009","12.7539","0.0009","16.2519","0.0013","90","","99.002","0.007","90","","2817.6","0.4","135","0.1","135","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl2 F6 N2 P -","- C30 H23 Cl2 F6 N2 P -","- C120 H92 Cl8 F24 N8 P4 -","4","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.1155","0.0775","","","0.1685","0.1937","","","","","","1.034","","","","has coordinates,has disorder","230619","2020-10-21","18:00:00",""
"7156295","11.66","0.014","12.07","0.009","18.027","0.013","90","","100.58","0.07","90","","2494","4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 Si -","- C26 H32 O4 Si -","- C104 H128 O16 Si4 -","4","1","","Acharyya, Ranjan Kumar; Nanda, Samik","Asymmetric total synthesis of naturally occurring spirocyclic tetranorsesquiterpenoid lanceolactone A.","Organic & biomolecular chemistry","2018","16","27","5027","5035","10.1039/c8ob01328d","","","0.71073","MoKα","","0.1092","0.0499","","","0.1272","0.1623","","","","","","0.894","","","","has coordinates","230620","2020-10-21","18:00:00",""
"7156296","17.347","0.002","8.8962","0.0015","14.148","0.002","90","","112.523","0.014","90","","2016.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F5 N3 O S -","- C20 H17 B F5 N3 O S -","- C80 H68 B4 F20 N12 O4 S4 -","4","1","","Lugovik, Kseniya I.; Eltyshev, Alexander K.; Suntsova, Polina O.; Smoluk, Leonid T.; Belousova, Anna V.; Ulitko, Maria V.; Minin, Artem S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Fluorescent boron complexes based on new N,O-chelates as promising candidates for flow cytometry.","Organic & biomolecular chemistry","2018","16","28","5150","5162","10.1039/c8ob00868j","","","0.71073","MoKα","","0.207","0.05","","","0.0888","0.1009","","","","","","1","","","","has coordinates,has disorder","230577","2020-10-21","18:00:00",""
"7156297","15.5285","0.0011","12.2909","0.0009","18.3647","0.0013","90","","90","","90","","3505.1","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C152 H144 Cl8 N8 O24 S8 -","8","1","","Maheshwar Rao, B.; Yadav, J. S.; Sridhar, B.; Subba Reddy, B. V.","Silver(i)-catalyzed sequential hydroamination and Prins type cyclization for the synthesis of fused benzo-δ-sultams.","Organic & biomolecular chemistry","2018","16","28","5163","5166","10.1039/c8ob00918j","","","0.71073","MoKα","","0.0649","0.0575","","","0.1637","0.1716","","","","","","1.062","","","","has coordinates","230580","2020-10-21","18:00:00",""
"7156301","8.0402","0.0017","9.8828","0.0018","13.696","0.002","99.883","0.015","90.997","0.015","109.551","0.018","1007","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C44 H54 N6 O4 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1095","0.0485","","","0.1226","0.1717","","","","","","0.888","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156302","9.955","0.002","15.804","0.003","13.546","0.002","90","","108.143","0.016","90","","2025.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1626","0.0694","","","0.1651","0.2267","","","","","","0.915","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156303","8.6576","0.0005","15.744","0.0009","16.1197","0.0009","89.599","0.004","78.285","0.005","84.114","0.005","2139.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H60 N4 O4 -","- C49 H60 N4 O4 -","- C98 H120 N8 O8 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0639","0.048","","","0.1309","0.157","","","","","","1.063","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156304","13.6871","0.0008","18.5215","0.0011","18.0498","0.001","90","","108.711","0.005","90","","4333.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 N4 O4 -","- C45 H68 N4 O4 -","- C180 H272 N16 O16 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0796","0.0495","","","0.1247","0.1561","","","","","","1.046","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156305","9.683","0.003","21.363","0.006","14.386","0.004","90","","109.097","0.003","90","","2812.1","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N2 O3 -","- C33 H39 N2 O3 -","- C132 H156 N8 O12 -","4","1","","Liu, Qi; Liu, Jie-Jie; Cheng, Liang; Wang, Dong; Liu, Li","TEMPO promoted direct multi-functionalization of terminal alkynes with 2-oxindoles/benzofuran-2(3H)-one.","Organic & biomolecular chemistry","2018","16","29","5228","5231","10.1039/c8ob01380b","","","0.71073","MoKα","","0.0826","0.0748","","","0.1671","0.1726","","","","","","1.178","","","","has coordinates","230575","2020-10-21","18:00:00",""
"7156306","13.5505","0.0019","14.85","0.002","16.762","0.002","90","","90","","90","","3372.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O3 S2 -","- C34 H46 N4 O3 S2 -","- C136 H184 N16 O12 S8 -","4","1","","Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu","A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.","Organic & biomolecular chemistry","2018","16","29","5343","5349","10.1039/c8ob01315b","","","0.71073","MoKα","","0.1665","0.1028","","","0.256","0.3001","","","","","","1.065","","","","has coordinates","230574","2020-10-21","18:00:00",""
"7156307","7.8053","0.0018","8.2606","0.0017","11.869","0.002","91.064","0.017","108.89","0.02","113.92","0.02","651.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(3-(3-nitro-2H-indazol-2-yl)phenyl)ethanone","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C30 H22 N6 O6 -","2","1","","Murugan, Arumugavel; Gorantla, Koteswar Rao; Mallik, Bhabani S.; Sharada, Duddu S.","Iron promoted C3-H nitration of 2H-indazole: direct access to 3-nitro-2H-indazoles.","Organic & biomolecular chemistry","2018","16","28","5113","5118","10.1039/c8ob00931g","","","0.71073","MoKα","","0.1431","0.0643","","","0.106","0.1402","","","","","","1.0545","","","","has coordinates","230579","2020-10-21","18:00:00",""
"7156308","8.7773","0.0004","16.6542","0.0008","21.9525","0.001","90","","90","","90","","3209","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 N2 O -","- C43 H38 N2 O -","- C172 H152 N8 O4 -","4","1","","Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng","A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones.","Organic & biomolecular chemistry","2018","16","30","5457","5464","10.1039/c8ob01427b","","","1.34139","GaKα","","0.0421","0.0366","","","0.0814","0.085","","","","","","1.03","","","","has coordinates","230806","2020-10-21","18:00:00",""
"7156309","9.541","0.003","14.222","0.004","12.432","0.003","90","","110.54","0.03","90","","1579.7","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","biphenyl","4'-Bromo-3-piperidin-1-yl-biphenyl-4-carbonitrile","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Yadav, Pratik; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes.","Organic & biomolecular chemistry","2018","16","30","5465","5473","10.1039/c8ob01270a","","","0.71073","MoKα","","0.1354","0.065","","","0.1571","0.1983","","","","","","1.032","","","","has coordinates","230807","2020-10-21","18:00:00",""
"7156310","11.8968","0.0011","18.4254","0.0017","10.7033","0.0008","90","","103.556","0.008","90","","2280.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","Unknown","","- C23 H25 F N3 O4 -","- C23 H25 F N3 O4 -","- C92 H100 F4 N12 O16 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.","Organic & biomolecular chemistry","2018","16","30","5407","5411","10.1039/c8ob01399c","","x-ray","0.71073","MoKα","","0.0982","0.0567","","","0.1208","0.1468","","","","","","1.051","","","","has coordinates","230803","2020-10-21","18:00:00",""
"7156311","8.139","0.003","13.44","0.004","13.65","0.005","102.732","0.005","104.959","0.005","107.249","0.005","1304.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H28 Cl3 N3 O6 S2 -","- C23.5 H28 Cl3 N3 O6 S2 -","- C47 H56 Cl6 N6 O12 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0873","0.0695","","","0.1896","0.2048","","","","","","1.057","","","","has coordinates,has disorder","230804","2020-10-21","18:00:00",""
"7156312","9.0264","0.0016","9.0426","0.0016","17.336","0.003","76.843","0.003","80.437","0.003","65.448","0.003","1249.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl2 N3 O5 S2 -","- C23 H27 Cl2 N3 O5 S2 -","- C46 H54 Cl4 N6 O10 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0939","0.0762","","","0.2196","0.2441","","","","","","1.069","","","","has coordinates","230804","2020-10-21","18:00:00",""
"7156313","11.6879","0.0008","18.2014","0.0011","8.4879","0.0004","90","","102.767","0.005","90","","1761.04","0.18","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0643","0.0432","","","0.1065","0.1221","","","","","","1.037","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156314","8.2097","0.0006","11.3718","0.001","11.432","0.0009","63.44","0.008","84.691","0.006","84.975","0.007","949.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0915","0.0524","","","0.0917","0.1075","","","","","","0.952","","","","has coordinates,has disorder","230808","2020-10-21","18:00:00",""
"7156315","10.8106","0.001","5.454","0.0005","11.7245","0.001","90","","104.012","0.005","90","","670.72","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.0693","0.0544","","","0.1414","0.155","","","","","","1.1","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156316","17.4085","0.001","6.2355","0.0003","17.4828","0.0011","90","","99.565","0.006","90","","1871.39","0.19","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0669","0.0462","","","0.1089","0.1228","","","","","","1.023","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156317","9.1241","0.0002","13.2825","0.0002","25.2487","0.0005","90","","94.118","0.001","90","","3052.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","2","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.041","0.0344","","","0.0863","0.091","","","","","","1.059","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156318","27.193","0.003","8.6013","0.0007","16.525","0.0017","90","","101.302","0.011","90","","3790.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.1006","0.0554","","","0.1352","0.1687","","","","","","1.048","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156319","15.92","0.0013","5.8083","0.0004","20.4496","0.0014","90","","100.147","0.007","90","","1861.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrafluoro-4-[4-[(4-methoxyphenyl)ethynyl]phenylethynyl]anisole","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C96 H56 F16 O8 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0666","0.0578","","","0.1468","0.1519","","","","","","1.101","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156320","11.4515","0.0006","4.9051","0.0003","39.555","0.002","90","","90","","90","","2221.8","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene","","- C28 H21 F5 O -","- C28 H21 F5 O -","- C112 H84 F20 O4 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0456","0.0404","","","0.0876","0.0908","","","","","","1.048","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156321","23.851","0.001","7.4217","0.0004","7.8859","0.0004","90","","90","","90","","1395.92","0.12","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","1,3-diphenylimidazo[1,5-a]pyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","0.5","","Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2018","16","31","5653","5660","10.1039/c8ob01501e","","x-ray","1.54184","CuKα","","0.0334","0.0316","","","0.0834","0.0864","","","","","","1.057","","","","has coordinates","230809","2020-10-21","18:00:00",""
"7156322","7.4307","0.0005","10.8091","0.0007","14.322","0.0008","88.506","0.005","89.846","0.005","83.022","0.005","1141.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O7 -","- C26 H18 N2 O7 -","- C52 H36 N4 O14 -","2","1","","Wang, Zhi-Peng; He, Yun; Shao, Pan-Lin","Transition-metal-free synthesis of polysubstituted pyrrole derivatives via cyclization of methyl isocyanoacetate with aurone analogues.","Organic & biomolecular chemistry","2018","16","30","5422","5426","10.1039/c8ob01558a","","","0.71073","MoKα","","0.0776","0.0525","","","0.1201","0.1387","","","","","","1.047","","","","has coordinates","230805","2020-10-21","18:00:00",""
"7156323","15.8276","0.0007","16.5142","0.0007","15.0083","0.0008","90","","114.514","0.006","90","","3569.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C180 H168 N12 -","6","1.5","","Huang, Li; Cao, Ying-Juan; Sun, Xiang-Ying; Liu, Bin; Shen, Jiang-Shan","Diverse applications of TMB-based sensing probes.","Organic & biomolecular chemistry","2018","16","31","5667","5676","10.1039/c8ob01364k","","","0.71073","MoKα","","0.1224","0.0566","","","0.118","0.1503","","","","","","0.942","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156324","9.812","0.002","15.26","0.003","18.464","0.004","108.25","0.03","98.59","0.03","92.69","0.03","2583.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C136 H88 N8 O16 -","8","4","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.1223","0.0634","","","0.1133","0.138","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156325","10.067","0.002","9.1332","0.0018","15.755","0.003","90","","103.76","0.03","90","","1407","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br N O2 -","- C17 H10 Br N O2 -","- C68 H40 Br4 N4 O8 -","4","1","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.0687","0.0398","","","0.0749","0.0824","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156326","8.7914","0.001","16.8836","0.0019","17.728","0.002","90","","90","","90","","2631.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O4 S2 -","- C24 H24 Br N3 O4 S2 -","- C96 H96 Br4 N12 O16 S8 -","4","1","","Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan","Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.","Organic & biomolecular chemistry","2018","16","32","5780","5787","10.1039/c8ob01524d","","","0.71073","MoKα","","0.0453","0.0322","","","0.0687","0.0737","","","","","","1.015","","","","has coordinates","230631","2020-10-21","18:00:00",""
"7156327","27.1192","0.0008","27.1192","0.0008","6.0742","0.0002","90","","90","","90","","4467.3","0.2","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C168 H256 N16 O48 -","8","2","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","0.71073","MoKα","","0.0649","0.0442","","","0.0809","0.0889","","","","","","1.024","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156328","7.1313","0.0016","8.764","0.002","17.546","0.004","90","","91.71","0.005","90","","1096.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0517","0.0517","","","0.1368","0.1368","","","","","","1.027","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156329","8.5893","0.0015","11.638","0.002","22.452","0.004","90","","90","","90","","2244.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 -","- C21 H30 N2 O7 -","- C84 H120 N8 O28 -","4","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0349","0.0341","","","0.0892","0.0899","","","","","","1.059","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156330","9.0593","0.0002","12.1761","0.0002","12.5506","0.0002","74.493","0.001","89.579","0.001","84.484","0.001","1327.6","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","1","0.5","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","","1.54178","CuKα","","0.0252","0.0245","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates","230810","2020-10-21","18:00:00",""
"7156331","10.0667","0.0004","16.1954","0.0007","19.0021","0.0008","111.109","0.004","94.141","0.004","100.255","0.004","2812.4","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49.55 H48.64 Cl11.68 N2 O10 -","- C49.548 H48.644 Cl11.678 N2 O10 -","- C99.096 H97.288 Cl23.356 N4 O20 -","2","1","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","x-ray","1.54184","CuKα","","0.0995","0.0664","","","0.184","0.2048","","","","","","0.955","","","","has coordinates,has disorder","230810","2020-10-21","18:00:00",""
"7156332","9.1731","0.0009","12.2931","0.0011","12.4614","0.0012","64.335","0.002","84.712","0.003","79.181","0.003","1244","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Cl2 N3 O2 -","- C28 H23 Cl2 N3 O2 -","- C56 H46 Cl4 N6 O4 -","2","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.1478","0.0889","","","0.2313","0.2641","","","","","","1.042","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156333","10.7906","0.0006","10.2626","0.0005","17.5715","0.0009","90","","102.945","0.003","90","","1896.41","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C92 H68 N12 O12 -","4","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.0617","0.0419","","","0.1064","0.1165","","","","","","1.065","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156334","12.899","0.002","7.78","0.002","13.924","0.001","90","","94.602","0.009","90","","1392.8","0.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxy-3-(2?-chlorobenzoyl)-5-nitro-1H-indole","","","- C15 H9 Cl N2 O4 -","- C15 H9 Cl N2 O4 -","- C60 H36 Cl4 N8 O16 -","4","1","","Ieronimo, Gabriella; Palmisano, Giovanni; Maspero, Angelo; Marzorati, Alessandro; Scapinello, Luca; Masciocchi, Norberto; Cravotto, Giancarlo; Barge, Alessandro; Simonetti, Marco; Ameta, Keshav Lalit; Nicholas, Kenneth M.; Penoni, Andrea","A novel synthesis of N-hydroxy-3-aroylindoles and 3-aroylindoles.","Organic & biomolecular chemistry","2018","16","38","6853","6859","10.1039/c8ob01471j","","","0.71073","MoKα","","0.054","0.0376","","","0.0863","0.0951","","","","","","1.008","","","","has coordinates","230872","2020-10-21","18:00:00",""
"7156335","19.409","0.011","22.804","0.014","7.899","0.005","90","","90","","90","","3496","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar","Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.","Organic & biomolecular chemistry","2018","16","32","5846","5858","10.1039/c8ob01143e","","","0.71073","MoKα","","0.2092","0.0691","","","0.1368","0.1922","","","","","","0.935","","","","has coordinates","230633","2020-10-21","18:00:00",""
"7156336","9.114","0.004","8.76","0.003","11.937","0.005","90","","98.233","0.006","90","","943.2","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C40 H42 Cl2 N4 O6 -","2","1","","Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan","A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.","Organic & biomolecular chemistry","2018","16","32","5899","5906","10.1039/c8ob01252k","","","0.71073","MoKα","","0.0793","0.0503","","","0.1011","0.1109","","","","","","1.035","","","","has coordinates","230634","2020-10-21","18:00:00",""
"7156337","10.5691","0.0018","12.489","0.002","13.082","0.002","113.373","0.005","95.324","0.005","113.736","0.005","1384","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Br N3 O3 -","- C30 H30 Br N3 O3 -","- C60 H60 Br2 N6 O6 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1185","0.0577","","","0.1171","0.1391","","","","","","1.041","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156338","6.8547","0.0015","15.209","0.003","23.124","0.005","90","","98.52","","90","","2384.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O4 -","- C25 H22 Br N3 O4 -","- C100 H88 Br4 N12 O16 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2521","0.0833","","","0.1701","0.2262","","","","","","0.916","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156339","5.3424","0.0018","19.837","0.006","19.534","0.006","90","","103.226","0.01","90","","2015.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br N O2 -","- C25 H16 Br N O2 -","- C100 H64 Br4 N4 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2514","0.0778","","","0.1415","0.1961","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156340","9.2635","0.0005","11.3364","0.0006","11.3467","0.0006","86.529","0.002","72.466","0.002","78.713","0.002","1114.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br Cl N2 O2 -","- C24 H20 Br Cl N2 O2 -","- C48 H40 Br2 Cl2 N4 O4 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0865","0.043","","","0.0873","0.1","","","","","","1.02","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156341","10.1744","0.0008","12.6935","0.0011","13.136","0.0012","113.581","0.003","93.921","0.003","112.484","0.002","1386.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.106","0.0568","","","0.1206","0.1386","","","","","","1.021","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156342","6.8119","0.0012","15.187","0.003","22.922","0.004","90","","98.315","0.005","90","","2346.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 N2 O2 -","- C25 H22 Br2 N2 O2 -","- C100 H88 Br8 N8 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1449","0.0613","","","0.1198","0.1467","","","","","","1.004","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156343","9.0719","0.0004","11.2308","0.0004","11.5065","0.0004","80.422","0.001","76.363","0.001","70.848","0.001","1071.15","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N3 O4 -","- C24 H20 Br N3 O4 -","- C48 H40 Br2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0406","0.0255","","","0.0612","0.0633","","","","","","1.065","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156344","9.933","0.0007","12.4636","0.0012","23.3748","0.0016","93.564","0.003","97.108","0.002","113.474","0.002","2614.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cl N3 O3 -","- C29 H28 Cl N3 O3 -","- C116 H112 Cl4 N12 O12 -","4","2","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1733","0.0678","","","0.1084","0.1338","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156345","6.44998","0.0001","20.5679","0.0003","23.9334","0.0004","90","","94.4481","0.0015","90","","3165.5","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O4 -","- C17 H20 F N O4 -","- C136 H160 F8 N8 O32 -","8","2","","Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.","Synthesis of highly substituted 2-spiropiperidines.","Organic & biomolecular chemistry","2018","16","36","6663","6674","10.1039/c8ob01272e","","x-ray","1.54184","CuKα","","0.0457","0.0362","","","0.0855","0.0912","","","","","","1.033","","","","has coordinates","230838","2020-10-21","18:00:00",""
"7156346","8.6049","0.0017","11.226","0.002","12.391","0.003","113.15","0.03","98.39","0.03","96.47","0.03","1069.6","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 I N2 O S -","- C24 H19 I N2 O S -","- C48 H38 I2 N4 O2 S2 -","2","1","","Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing","Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.","Organic & biomolecular chemistry","2018","16","33","5955","5959","10.1039/c8ob01557k","","","0.71073","MoKα","","0.0419","0.0372","","","0.1023","0.1051","","","","","","1.056","","","","has coordinates","230649","2020-10-21","18:00:00",""
"7156347","10.8798","0.0001","18.4104","0.0001","14.5081","0.0001","90","","90","","90","","2905.99","0.04","150","","150","","","","","","","","from U of Wollongong","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","1.54184","CuKα","","0.0316","0.03","","0.0746","0.0734","0.0746","","","","","","1.0045","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156348","23.5193","0.0013","11.6263","0.0007","9.3856","0.0005","90","","90.966","0.005","90","","2566.1","0.3","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N3 O4 S -","- C31 H25 N3 O4 S -","- C124 H100 N12 O16 S4 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.117","0.0706","","0.1532","0.1319","0.1532","","","","","","1.0135","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156349","23.9584","0.0007","9.6484","0.0003","16.009","0.0006","90","","90.165","0.003","90","","3700.6","0.2","150","","150","","","","","","","","from U of Wollongong","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 O6 -","- C23 H18 N2 O6 -","- C184 H144 N16 O48 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","0.71073","MoKα","","0.0474","0.0443","","0.1093","0.1074","0.1093","","","","","","1.0328","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156350","10.5565","0.0002","14.9406","0.0002","25.9563","0.0004","90","","90","","90","","4093.84","0.11","150","","150.01","0.1","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35.85 Cl4.15 N4 O8 -","- C42 H35.85 Cl4.15 N4 O8 -","- C168 H143.4 Cl16.6 N16 O32 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0769","0.0684","","0.1506","0.1456","0.1506","","","","","","0.9821","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156351","8.6464","0.00007","11.41283","0.00008","17.69376","0.00013","90","","90","","90","","1746.02","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0306","0.0302","","0.0812","0.0807","0.0812","","","","","","1.0034","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156352","9.4743","0.0005","10.9625","0.0005","15.3255","0.0007","69.302","0.001","81.446","0.002","65.245","0.002","1352.17","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tsavoenones A","","","- C28 H28 O12 -","- C28 H28 O12 -","- C56 H56 O24 -","2","1","","Duong, Thuc-Huy; Beniddir, Mehdi A.; Genta-Jouve, Grégory; Aree, Thammarat; Chollet-Krugler, Marylène; Boustie, Joël; Ferron, Solenn; Sauvager, Aurélie; Nguyen, Huu-Hung; Nguyen, Kim-Phi-Phung; Chavasiri, Warinthorn; Le Pogam, Pierre","Tsavoenones A-C: unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen Parmotrema tsavoense.","Organic & biomolecular chemistry","2018","16","32","5913","5919","10.1039/c8ob01280f","","","0.71073","MoKα","","0.1032","0.0555","","","0.1394","0.1642","","","","","","1.039","","","","has coordinates","230635","2020-10-21","18:00:00",""
"7156353","7.6583","0.0009","11.7333","0.0012","25.007","0.002","90","","95.687","0.011","90","","2236","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C100 H88 N16 O24 -","4","1","","Gao, Xing; Shan, Chunhui; Chen, Zhihao; Liu, Yan; Zhao, Xia; Zhang, Ao; Yu, Peng; Galons, Hervé; Lan, Yu; Lu, Kui","One-pot synthesis of β-lactams by the Ugi and Michael addition cascade reaction.","Organic & biomolecular chemistry","2018","16","33","6096","6105","10.1039/c8ob01176a","","x-ray","0.71073","MoKα","","0.0671","0.0527","","","0.1199","0.1239","","","","","","1.031","","","","has coordinates","230656","2020-10-21","18:00:00",""
"7156354","11.1611","0.0007","18.4375","0.0011","23.2735","0.0012","90","","90","","90","","4789.3","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H58 N2 O9 S -","- C55 H58 N2 O9 S -","- C220 H232 N8 O36 S4 -","4","1","","Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir","""Choose-a-size"" control in the synthesis of sucrose based urea and thiourea macrocycles.","Organic & biomolecular chemistry","2018","16","33","6063","6069","10.1039/c8ob01340c","","","0.71073","MoKα","","0.1075","0.0635","","","0.1471","0.1795","","","","","","0.911","","","","has coordinates","230651","2020-10-21","18:00:00",""
"7156355","11.2505","0.0007","11.5713","0.001","13.0127","0.0009","86.119","0.006","84.314","0.006","65.589","0.007","1534.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C68 H66 N6 O12 -","2","1","","Guo, Jiaomei; Zhao, Yang; Fang, Dongmei; Wang, Qilin; Bu, Zhanwei","Diastereoselective construction of pyrrolo[2,1-a]isoquinoline-based bispirooxindoles through a three-component [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","33","6025","6034","10.1039/c8ob01493k","","x-ray","0.71073","MoKα","","0.1021","0.0551","","","0.119","0.1458","","","","","","1.023","","","","has coordinates","230653","2020-10-21","18:00:00",""
"7156356","9.1202","0.001","8.3186","0.001","33.169","0.007","90","","90","","90","","2516.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H6 F7 N2 -","- C11 H6 F7 N2 -","- C88 H48 F56 N16 -","8","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.1468","0.1311","","","0.3738","0.4","","","","","","1.523","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156357","4.3659","0.0006","22.675","0.003","8.74","0.0012","90","","92.88","0.014","90","","864.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F2 N2 -","- C9 H8 F2 N2 -","- C36 H32 F8 N8 -","4","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.0852","0.0759","","","0.1972","0.212","","","","","","0.975","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156358","8.9053","0.0002","29.8896","0.0007","10.0393","0.0002","90","","113.921","0.001","90","","2442.69","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","2","","Cai, Yue; Gu, Qing; You, Shu-Li","Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.","Organic & biomolecular chemistry","2018","16","33","6146","6154","10.1039/c8ob01863d","","","1.54178","CuKα","","0.0865","0.0698","","","0.1763","0.1981","","","","","","1.026","","","","has coordinates","230654","2020-10-21","18:00:00",""
"7156359","9.1068","0.0005","13.5461","0.0009","26.1677","0.0013","90","","90","","90","","3228.1","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C184 H112 O16 -","8","1","","Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun","Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.","Organic & biomolecular chemistry","2018","16","33","6077","6085","10.1039/c8ob01199k","","x-ray","0.71073","MoKα","","0.0861","0.054","","","0.1203","0.1393","","","","","","1.024","","","","has coordinates","230657","2020-10-21","18:00:00",""
"7156360","10.1392","0.0004","10.1392","0.0004","28.1205","0.0016","90","","90","","90","","2890.9","0.2","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","2","","Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei","Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.","Organic & biomolecular chemistry","2018","16","34","6284","6294","10.1039/c8ob01400k","","","1.54178","CuKα","","0.0531","0.039","","","0.0943","0.101","","","","","","1.021","","","","has coordinates","230861","2020-10-21","18:00:00",""
"7156361","8.863","0.0006","6.941","0.0004","14.038","0.001","90","","104.114","0.007","90","","837.52","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C42 H34 N6 O2 -","2","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0821","0.0838","","","","","","1.067","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156362","9.4056","0.0012","7.0317","0.0008","28.179","0.003","90","","94.395","0.01","90","","1858.2","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0407","0.0324","","","0.0821","0.0862","","","","","","1.039","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156363","9.2351","0.00017","14.6347","0.0003","25.4336","0.0005","90","","96.9605","0.0007","90","","3412.09","0.12","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C144 H152 N8 O48 -","8","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0375","0.0364","","","0.0934","0.0943","","","","","","1.07","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156364","5.15537","0.00009","43.3613","0.0008","8.36326","0.00015","90","","111.741","0.0007","90","","1736.56","0.05","188","2","188","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Br O6 -","- C17 H19 Br O6 -","- C68 H76 Br4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0369","0.035","","","0.0856","0.0868","","","","","","1.082","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156365","9.59148","0.00017","8.88839","0.00016","20.6593","0.0004","90","","95.3754","0.0007","90","","1753.52","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.036","0.035","","","0.094","0.0948","","","","","","1.059","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156366","13.6734","0.00019","10.41568","0.00013","27.6271","0.0004","90","","103.065","0.0014","90","","3832.73","0.09","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H43 N3 O8 -","- C44 H43 N3 O8 -","- C176 H172 N12 O32 -","4","2","","Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.","Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.","Organic & biomolecular chemistry","2018","16","34","6250","6261","10.1039/c8ob01433g","","x-ray","0.71073","MoKα","","0.0479","0.0381","","","0.0832","0.0889","","","","","","1.06","","","","has coordinates","230862","2020-10-21","18:00:00",""
"7156367","8.1375","0.0004","8.1375","0.0004","22.67","0.0015","90","","90","","90","","1501.18","0.14","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C17 H10 Cl F2 N O2 -","- C17 H10 Cl F2 N O2 -","- C68 H40 Cl4 F8 N4 O8 -","4","1","","Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying","Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.","Organic & biomolecular chemistry","2018","16","33","6133","6139","10.1039/c8ob01731j","","","1.54184","CuKα","","0.0403","0.0368","","","0.0941","0.0986","","","","","","1.05","","","","has coordinates","230655","2020-10-21","18:00:00",""
"7156368","9.6135","0.0005","10.5171","0.0005","12.3679","0.0005","72.018","0.003","70.4","0.004","89.928","0.004","1113.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C60 H44 N4 O2 -","2","1","","Yang, Kai; Bao, Xiaoze; Yao, Ye; Qu, Jingping; Wang, Baomin","Iodine-mediated cross-dehydrogenative coupling of pyrazolones and alkenes.","Organic & biomolecular chemistry","2018","16","34","6275","6283","10.1039/c8ob01645c","","","0.71073","MoKα","","0.087","0.0499","","","0.1218","0.1518","","","","","","1.049","","","","has coordinates","230864","2020-10-21","18:00:00",""
"7156369","8.6452","0.0005","11.1356","0.0005","15.0205","0.0006","108.623","0.004","91.819","0.004","111.122","0.004","1260.49","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C60 H62 N6 O8 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","1.5418","CuKα","","0.0472","0.0407","","","0.1054","0.1108","","","","","","1.064","","","","has coordinates","230865","2020-10-21","18:00:00",""
"7156370","10.5365","0.0013","10.715","0.0009","11.866","0.002","64.644","0.013","70.132","0.014","77.884","0.009","1135.3","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4.06 -","- C28 H28 N2 O4.0647 -","- C56 H56 N4 O8.1294 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","0.7107","MoKα","","0.0581","0.0486","","","0.1311","0.1401","","","","","","1.065","","","","has coordinates,has disorder","230865","2020-10-21","18:00:00",""
"7156371","6.9737","0.0003","23.8115","0.0009","11.0278","0.0005","90","","98.529","0.004","90","","1810.96","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PYD-138","","- C18 H21 B Br N O4 -","- C18 H21 B Br N O4 -","- C72 H84 B4 Br4 N4 O16 -","4","1","","Pang, Yadong; Kojima, Ryoto; Ito, Hajime","Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron.","Organic & biomolecular chemistry","2018","16","34","6187","6190","10.1039/c8ob01778f","","x-ray","0.71073","MoKα","","0.0441","0.0303","","","0.062","0.0655","","","","","","1.019","","","","has coordinates","230859","2020-10-21","18:00:00",""
"7156372","10.811","0.0004","11.3987","0.0003","11.7982","0.0004","90","","104.616","0.004","90","","1406.86","0.08","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-6, 6?-HMSIOL","","","- C29 H42 O3 -","- C29 H42 O3 -","- C58 H84 O6 -","2","1","","Shan, Huanyu; Pan, Rihuang; Lin, Xufeng","Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.","Organic & biomolecular chemistry","2018","16","34","6183","6186","10.1039/c8ob01785a","","","1.54184","CuKα","","0.0563","0.0466","","","0.124","0.1356","","","","","","1.029","","","","has coordinates","230860","2020-10-21","18:00:00",""
"7156373","7.2446","0.0003","10.9482","0.0005","21.3662","0.0009","90","","98.091","0.003","90","","1677.8","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B Br O4 -","- C16 H20 B Br O4 -","- C64 H80 B4 Br4 O16 -","4","1","","Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan","trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.","Organic & biomolecular chemistry","2018","16","34","6341","6349","10.1039/c8ob01343h","","","0.71073","MoKα","","0.055","0.0418","","","0.0887","0.0965","","","","","","1.091","","","","has coordinates","230858","2020-10-21","18:00:00",""
"7156374","14.1337","0.0016","10.2364","0.0011","8.868","0.0011","90","","97.306","0.002","90","","1272.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Li, Xiao-Fang; Shi, Lin-Feng; Zhang, Xing-Guo; Zhang, Xiao-Hong","Pd-Catalyzed C(sp<sup>2</sup>)-H aminocarbonylation using the Langlois reagent as a carbonyl source.","Organic & biomolecular chemistry","2018","16","35","6438","6442","10.1039/c8ob01421c","","","0.71073","MoKα","","0.0316","0.0306","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates","230846","2020-10-21","18:00:00",""
"7156375","27.492","0.006","10.71","0.002","20.869","0.005","90","","131.125","0.006","90","","4628.6","1.8","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C184 H224 Cl8 N24 O16 -","8","2","","Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu","Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.","Organic & biomolecular chemistry","2018","16","34","6322","6331","10.1039/c8ob01728j","","","0.71073","MoKα","","0.0605","0.0445","","","0.115","0.1269","","","","","","0.979","","","","has coordinates","230863","2020-10-21","18:00:00",""
"7156376","7.5644","0.0002","19.5682","0.0006","9.8133","0.0003","90","","105.002","0.003","90","","1403.07","0.07","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N4 O6 S -","- C31 H26 N4 O6 S -","- C62 H52 N8 O12 S2 -","2","1","","Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.","Organic & biomolecular chemistry","2018","16","35","6470","6478","10.1039/c8ob01588k","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0784","0.0819","","","","","","1.041","","","","has coordinates","230847","2020-10-21","18:00:00",""
"7156377","11.7078","0.0004","23.2759","0.0007","12.9884","0.0005","90","","90.62","0.003","90","","3539.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl12 N10 -","- C66 H76 Cl12.002 N10 -","- C132 H152 Cl24.004 N20 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0747","0.0489","","","0.1051","0.1178","","","","","","1.023","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156378","24.8236","0.001","16.309","0.0006","10.9728","0.0004","90","","90","","90","","4442.3","0.3","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H56 B Cl3 N6 -","- C49 H56 B Cl3 N6 -","- C196 H224 B4 Cl12 N24 -","4","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0311","0.0293","","","0.0739","0.0754","","","","","","1.049","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156379","6.0419","0.0005","16.2175","0.0013","31.008","0.002","90","","95.305","0.003","90","","3025.3","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 N12 O Zn -","- C60 H70 N12 O Zn -","- C120 H140 N24 O2 Zn2 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0826","0.058","","","0.1364","0.1467","","","","","","1.021","","","","has coordinates","230842","2020-10-21","18:00:00",""
"7156380","7.53","0.003","5.649","0.002","23.594","0.009","90","","96.387","0.006","90","","997.4","0.7","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 F N O5 -","- C22 H24 F N O5 -","- C44 H48 F2 N2 O10 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0786","0.0768","","","0.2055","0.2068","","","","","","1.196","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156381","7.9683","0.0003","16.3532","0.0006","23.8547","0.0009","90","","90","","90","","3108.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","1","0.25","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","1.54184","CuKα","","0.04","0.0385","","","0.0982","0.0992","","","","","","1.03","","","","has coordinates,has disorder","230849","2020-10-21","18:00:00",""
"7156382","6.6706","0.001","25.351","0.004","11.3316","0.0017","90","","89.9","","90","","1916.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Br2 N2 O10 -","- C40 H40 Br2 N2 O10 -","- C80 H80 Br4 N4 O20 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0668","0.0587","","","0.1627","0.1664","","","","","","1.036","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156383","9.5617","0.0018","9.7384","0.0018","10.228","0.002","75.27","0.017","68.659","0.018","61.422","0.019","775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C38 H30 F4 N2 O4 -","2","1","","Mai, Wen-Peng; Wang, Fei; Zhang, Xiao-Feng; Wang, Shi-Min; Duan, Qun-Peng; Lu, Kui","Nickel-catalysed radical tandem cyclisation/arylation: practical synthesis of 4-benzyl-3,3-difluoro-γ-lactams.","Organic & biomolecular chemistry","2018","16","35","6491","6498","10.1039/c8ob01389f","","x-ray","1.54184","CuKα","","0.0719","0.0582","","","0.1635","0.1824","","","","","","1.093","","","","has coordinates","230843","2020-10-21","18:00:00",""
"7156384","14.3887","0.0013","9.1859","0.0008","24.515","0.002","90","","90","","90","","3240.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0553","0.0364","","","0.0903","0.1059","","","","","","1.044","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156385","9.4746","0.0004","9.4905","0.0004","9.7931","0.0004","78.081","0.001","70.166","0.001","77.527","0.001","800.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0535","0.0454","","","0.1083","0.1159","","","","","","1.035","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156386","9.1935","0.0001","14.7832","0.0002","30.8543","0.0005","90","","90","","90","","4193.39","0.1","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 Cl N O7 P Pd -","- C45 H45 Cl N O7 P Pd -","- C180 H180 Cl4 N4 O28 P4 Pd4 -","4","1","","Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.","Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.","Organic & biomolecular chemistry","2018","16","35","6395","6398","10.1039/c8ob01919c","","","0.71073","MoKα","","0.0912","0.0586","","","0.1037","0.1153","","","","","","1.063","","","","has coordinates","230844","2020-10-21","18:00:00",""
"7156387","14.4456","0.0003","9.07642","0.00017","22.7259","0.0005","90","","90","","90","","2979.69","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.1068","0.093","","","0.2366","0.2464","","","","","","1.165","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156388","11.7047","0.0002","10.3186","0.0002","13.6857","0.0003","90","","113.046","0.003","90","","1520.99","0.06","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.0467","0.0443","","","0.1217","0.1241","","","","","","1.0565","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156389","5.6165","0.0018","13.983","0.002","16.7686","0.0017","65.52","0.03","88.6","0.03","86.77","0.03","1196.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N3 O8 S -","- C26 H20 Cl N3 O8 S -","- C52 H40 Cl2 N6 O16 S2 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","0.71073","MoKα","","0.2192","0.0706","","","0.101","0.1237","","","","","","0.898","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156390","8.8442","0.0002","10.8918","0.0002","11.5077","0.0003","90","","90.266","0.003","90","","1108.52","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O4 -","- C23 H23 Cl N2 O4 -","- C46 H46 Cl2 N4 O8 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","1.54184","CuKα","","0.0535","0.0401","","","0.0909","0.0997","","","","","","1.024","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156391","9.6804","0.0014","24.788","0.004","10.418","0.0016","90","","109.906","0.004","90","","2350.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C104 H116 O12 P4 -","4","1","","Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei","Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.","Organic & biomolecular chemistry","2018","16","36","6675","6679","10.1039/c8ob01640b","","","0.71073","MoKα","","0.0789","0.049","","","0.128","0.1413","","","","","","1.027","","","","has coordinates","230839","2020-10-21","18:00:00",""
"7156393","10.9261","0.0003","10.6284","0.0003","12.9254","0.0004","90","","90.813","0.003","90","","1500.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.059","0.0561","","","0.1542","0.1588","","","","","","1.042","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156394","6.07129","0.00017","18.3833","0.0005","12.037","0.0003","90","","101.88","0.003","90","","1314.68","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.0825","0.0815","","","0.2215","0.223","","","","","","1.034","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156395","12.3782","0.0003","12.3739","0.0003","15.7294","0.0004","90","","99.479","0.001","90","","2376.32","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Bis(3-(trifluoromethyl)phenyl)-5,6-dihydrofuro[3,2-<i>b</i>:4,5-<i>b'</i>]diindole","","- C30 H16 F6 N2 O -","- C30.001 H16 F6.003 N2 O -","- C120.004 H64 F24.012 N8 O4 -","4","1","","Hoang, Huy Do; Janke, Julia; Amirjanyan, Aneta; Ghochikyan, Tariel; Flader, Anika; Villinger, Alexander; Ehlers, Peter; Lochbrunner, Stefan; Surkus, Annette-Enrica; Langer, Peter","Synthesis of furo[3,2-b:4,5-b']diindoles and their optical and electrochemical properties.","Organic & biomolecular chemistry","2018","16","35","6543","6551","10.1039/c8ob01737a","","","0.71073","MoKα","","0.1122","0.052","","","0.0971","0.122","","","","","","1.007","","","","has coordinates,has disorder","230845","2020-10-21","18:00:00",""
"7156396","15.538","0.005","6.0233","0.0019","37.422","0.012","90","","96.818","0.012","90","","3477.6","1.9","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C136 H152 N8 O32 S8 -","8","1","","Han, Teng; Luo, Xiaoyan","Thio-Michael addition of thioamides and allenes for the selective construction of polysubstituted 2-arylthiophenes via TBAI/H<sub>2</sub>O<sub>2</sub> promoted tandem oxidative annulation and 1,2-sulfur migration.","Organic & biomolecular chemistry","2018","16","37","8253","8257","10.1039/c8ob01835a","","","0.71073","MoKα","","0.1189","0.071","","","0.1658","0.1908","","","","","","1.055","","","","has coordinates,has disorder","230614","2020-10-21","18:00:00",""
"7156397","8.1025","0.0005","8.5681","0.0005","11.8342","0.0008","99.111","0.002","108.53","0.002","102.689","0.002","736.47","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","","0.71073","MoKα","","0.0664","0.0496","","","0.1317","0.1578","","","","","","0.999","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156398","5.206","0.0002","13.3385","0.0006","17.7829","0.0008","90","","90.2054","0.0017","90","","1234.84","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","x-ray","0.71073","MoKα","","0.0468","0.0375","","","0.0916","0.0984","","","","","","1.048","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156399","6.3713","0.0003","23.7413","0.0012","8.8276","0.0004","90","","103.695","0.005","90","","1297.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","carbamothioate","S-phenyl cyclohexylcarbamothioate","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","","Pathare, Ramdas S.; Patil, Vikas; Kaur, Harpreet; Maurya, Antim K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Devunuri, Nagaraju; Sharon, Ashoke; Sawant, Devesh M.","Iodine-catalyzed cross-coupling of isocyanides and thiols for the synthesis of S-thiocarbamates.","Organic & biomolecular chemistry","2018","16","37","8263","8266","10.1039/c8ob01855c","","","0.71073","MoKα","","0.064","0.0517","","","0.1229","0.131","","","","","","1.058","","","","has coordinates","230615","2020-10-21","18:00:00",""
"7156400","7.2834","0.0004","7.5733","0.0004","12.2004","0.0007","92.486","0.002","94.926","0.002","96.678","0.002","664.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7,7-diethyl-8-methyl-7,8-dihydroimidazo[2',1':3,4][1,4,2]-diazaborinino[1,6,5-gh]purin-11-ium-7-uide","","- C13 H17 B N6 -","- C13 H17 B N6 -","- C26 H34 B2 N12 -","2","1","","Zhang, Jiaxi; Hübner, Eike G; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Purine-substituted imidazolium mesomeric betaines and their tautomeric N-heterocyclic carbenes. Formation of a cyclic borane adduct.","Organic & biomolecular chemistry","2018","16","36","6801","6808","10.1039/c8ob01916a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0938","0.0952","","","","","","1.037","","","","has coordinates","230836","2020-10-21","18:00:00",""
"7156401","5.0234","0.0015","12.137","0.004","13.751","0.004","90","","99.8","0.02","90","","826.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,2,4-Trimethylfuran-3-carboxamide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Sultana, Sabera; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Silver(i)/base-promoted propargyl alcohol-controlled regio- or stereoselective synthesis of furan-3-carboxamides and (Z)-enaminones.","Organic & biomolecular chemistry","2018","16","36","6749","6759","10.1039/c8ob01791c","","","0.71073","MoKα","","0.0556","0.0384","","","0.0884","0.1007","","","","","","1.011","","","","has coordinates","230841","2020-10-21","18:00:00",""
"7156402","5.1215","0.0015","9.156","0.003","20.332","0.006","98.617","0.011","95.001","0.01","97.261","0.01","929.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1265","0.069","","","0.1476","0.1673","","","","","","1.025","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156403","8.697","0.004","11.477","0.004","12.404","0.005","93.694","0.009","96.086","0.01","106.015","0.01","1177.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O -","- C29 H30 N2 O -","- C58 H60 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1124","0.0657","","","0.1645","0.1978","","","","","","1.019","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156404","18.218","0.004","7.7675","0.0018","18.549","0.004","90","","111.106","0.005","90","","2448.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O Si -","- C28 H34 N2 O Si -","- C112 H136 N8 O4 Si4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1056","0.0592","","","0.146","0.1782","","","","","","0.993","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156405","5.8896","0.0009","10.8408","0.0014","11.3786","0.0015","90","","102.397","0.005","90","","709.56","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H17 O6 -","- C15 H17 O6 -","- C30 H34 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0943","0.0599","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156406","5.072","0.005","10.504","0.005","14.874","0.005","90","0.005","92.305","0.005","90","0.005","791.8","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0809","0.0549","","","0.118","0.1275","","","","","","1.021","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156407","5.0069","0.0004","9.5409","0.0007","26.84","0.002","90","","90","","90","","1282.16","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.099","0.0568","","","0.1212","0.1464","","","","","","1.08","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C40 H44 O20 -","- C40 H44 O20 -","- C160 H176 O80 -","4","0.5","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156409","10.229","0.013","10.292","0.013","12.452","0.016","88.979","0.015","78.134","0.014","86.738","0.014","1281","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Jiang, Xiao-Li; Wu, Shu-Fang; Wang, Jin-Rong; Lu, Han; Mei, Guang-Jian; Shi, Feng","The [4 + 2] cyclization/retro-Mannich reaction cascade of para-quinone methide derivatives with Pd-containing 1,4-dipoles.","Organic & biomolecular chemistry","2018","16","37","8395","8402","10.1039/c8ob01274a","","","0.71073","MoKα","","0.09","0.0638","","","0.1701","0.1889","","","","","","0.984","","","","has coordinates","230612","2020-10-21","18:00:00",""
"7156410","7.865","0.004","8.24","0.005","10.747","0.007","100.15","0.03","96.1","0.04","112.36","0.04","622.4","0.7","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-78","","- C30 H38 O3 -","- C30 H38 O3 -","- C30 H38 O3 -","1","1","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0456","0.042","","","0.1115","0.1173","","","","","","1.013","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156411","7.6619","0.0003","7.6737","0.0003","21.935","0.0009","97.812","0.002","92.511","0.002","94.499","0.002","1271.83","0.09","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-90","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","2","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0999","0.0931","","","0.2768","0.2842","","","","","","1.051","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156412","8.4187","0.0014","9.0328","0.0014","13.363","0.002","104.129","0.002","99.655","0.002","103.737","0.002","929.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0665","0.0499","","","0.1308","0.1393","","","","","","1.091","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156413","7.4925","0.0004","9.5061","0.0005","10.1328","0.0006","76.219","0.003","73.54","0.003","83.242","0.003","671.23","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C36 H20 N4 O2 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0843","0.0574","","","0.1244","0.142","","","","","","1.041","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156414","19.493","0.005","17.572","0.005","8.547","0.002","90","","93.428","0.004","90","","2922.4","1.3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C[4]pAP(Hex4)","","","- C62 H92 N4 O6 -","- C62 H92 N4 O6 -","- C124 H184 N8 O12 -","2","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71075","MoKα","","0.0628","0.0491","","","0.1065","0.1136","","","","","","1.095","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156415","40.5482","0.0009","5.749","0.0001","26.1364","0.0007","90","","105.526","0.002","90","","5870.4","0.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C[4]pAP(iBt-mBzl-iBt-mBzl)","","","- C59 H63 Cl9 N4 O6 -","- C59 H63 Cl9 N4 O6 -","- C236 H252 Cl36 N16 O24 -","4","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71073","MoKα","","0.0964","0.0865","","","0.2679","0.2767","","","","","","1.13","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156416","20.7367","0.0006","19.2582","0.0005","8.3754","0.0003","90","","90","","90","","3344.73","0.18","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C79 H90 O8 -","- C79 H90 O8 -","- C158 H180 O16 -","2","0.5","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1216","0.1284","","","","","","1.03","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156417","9.8979","0.0003","22.3751","0.0008","16.4276","0.0005","90","","105.896","0.003","90","","3499","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dimericursone B","","- C82 H92 O8 -","- C82 H92 O8 -","- C164 H184 O16 -","2","1","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.058","0.0496","","","0.1249","0.1344","","","","","","1.031","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156418","9.7271","0.0019","7.2173","0.0014","11.15","0.002","90","","111.74","0.03","90","","727.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 F3 N2 O8 -","- C10 H17 F3 N2 O8 -","- C20 H34 F6 N4 O16 -","2","1","","Voznesenskaia, Natalia G.; Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Enantioselective synthesis of α-perfluoroalkylated prolines, their 6,7-membered homologues and derivatives.","Organic & biomolecular chemistry","2018","16","38","7004","7011","10.1039/c8ob01223g","","","0.9699","synchrotron","","0.0815","0.0562","","","0.1165","0.1365","","","","","","0.91","","","","has coordinates","230875","2020-10-21","18:00:00",""
"7156419","14.457","0.008","7.977","0.004","25.613","0.014","90","","96.424","0.009","90","","2935","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C136 H96 N16 O32 -","8","2","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.1545","0.0875","","","0.2152","0.2721","","","","","","1.148","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156420","11.222","0.009","10.455","0.008","13.216","0.01","90","","104.726","0.013","90","","1500","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br2 N2 O4 -","- C34 H24 Br2 N2 O4 -","- C68 H48 Br4 N4 O8 -","2","0.5","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.0757","0.0665","","","0.1926","0.2026","","","","","","1.122","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156421","8.2385","0.0002","12.3118","0.0003","19.8734","0.0005","80.876","0.006","87.787","0.006","86.969","0.006","1986.55","0.09","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 O6 S2 -","- C40 H56 N4 O6 S2 -","- C80 H112 N8 O12 S4 -","2","1","","Ito, Motoki; Nakagawa, Tomoya; Higuchi, Kazuhiro; Sugiyama, Shigeo","Dirhodium(ii)-catalyzed ortho C-H amination of sterically congested N,N-dialkylanilines.","Organic & biomolecular chemistry","2018","16","38","6876","6881","10.1039/c8ob01974f","","","1.54187","CuKα","","0.0383","0.0355","","","0.0943","0.0961","","","","","","1.044","","","","has coordinates","230874","2020-10-21","18:00:00",""
"7156422","26.8559","0.0007","5.3064","0.0001","13.945","0.0004","90","","101.233","0.001","90","","1949.21","0.08","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Furyl chalcone dimer","","- C26 H20 O6 -","- C26 H20 O6 -","- C104 H80 O24 -","4","0.5","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0398","0.0372","","","0.0931","0.0958","","","","","","1.067","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156423","9.3615","0.0003","11.4117","0.0004","12.4513","0.0004","105.753","0.002","98.617","0.002","95.08","0.002","1254.04","0.07","100","","100","","","","","","","","none","3","P -1","-P 1","2","","Parent Chalcone Dimer","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0548","0.0452","","","0.1038","0.1102","","","","","","1.059","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156424","7.2405","0.0007","16.1028","0.0016","12.0426","0.0012","90","","91.275","0.002","90","","1403.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Yang, Wei; Wang, Jingyi; Wang, He; Li, Lei; Guan, Yuekai; Xu, Xianxiu; Yu, Dayu","Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C-H activation.","Organic & biomolecular chemistry","2018","16","38","6865","6869","10.1039/c8ob01938j","","","0.71073","MoKα","","0.085","0.0547","","","0.1337","0.1571","","","","","","1.028","","","","has coordinates","230868","2020-10-21","18:00:00",""
"7156425","11.4816","0.0008","12.2451","0.0006","16.6439","0.0009","90","","90","","90","","2340","0.2","292.64","0.1","292.64","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O Si -","- C24 H28 N4 O Si -","- C96 H112 N16 O4 Si4 -","4","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0538","0.038","","","0.085","0.0911","","","","","","1.041","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156426","6.543","0.0008","10.2385","0.0013","14.1084","0.0019","71.826","0.012","83.376","0.01","78.57","0.01","878.7","0.2","293","0.2","293","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O Si -","- C15 H24 N4 O Si -","- C30 H48 N8 O2 Si2 -","2","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0993","0.0675","","","0.1548","0.1727","","","","","","1.049","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156427","8.811","0.003","20.892","0.008","10.95","0.004","90","","105.717","0.012","90","","1940.3","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br N2 O3 -","- C24 H17 Br N2 O3 -","- C96 H68 Br4 N8 O12 -","4","1","","Su, Lin; Yu, Zheng; Ren, Peiling; Luo, Zhi; Hou, Wei; Xu, Hongtao","Ruthenium(ii)-catalyzed synthesis of indazolone-fused cinnolines via C-H coupling with diazo compounds.","Organic & biomolecular chemistry","2018","16","39","7236","7244","10.1039/c8ob02071j","","","0.71073","MoKα","","0.0661","0.0458","","","0.1138","0.1245","","","","","","1.042","","","","has coordinates","230696","2020-10-21","18:00:00",""
"7156428","13.0946","0.001","15.5628","0.0013","18.5598","0.0015","79.233","0.004","72.605","0.004","72.961","0.004","3430.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H87 Cl4 N7 O10 -","- C73 H87 Cl4 N7 O10 -","- C146 H174 Cl8 N14 O20 -","2","1","","Saura-Sanmartin, Adrian; Martinez-Cuezva, Alberto; Pastor, Aurelia; Bautista, Delia; Berna, Jose","Light-driven exchange between extended and contracted lasso-like isomers of a bistable [1]rotaxane.","Organic & biomolecular chemistry","2018","16","38","6980","6987","10.1039/c8ob02234h","","","0.71073","MoKα","","0.1042","0.0775","","","0.2158","0.2408","","","","","","1.016","","","","has coordinates,has disorder","230871","2020-10-21","18:00:00",""
"7156429","11.551","0.003","12.966","0.003","15.938","0.004","90","","104.819","0.006","90","","2307.6","1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F N2 O4 -","- C30 H25 F N2 O4 -","- C120 H100 F4 N8 O16 -","4","1","","Gupta, Vijay; Pandey, Satish K.; Singh, Ravi P.","Facile synthesis of triphenylenes and triphenylene/phenanthrene fused heteroaromatics.","Organic & biomolecular chemistry","2018","16","39","7134","7138","10.1039/c8ob01930d","","","0.71073","MoKα","","0.1613","0.0953","","","0.2305","0.2775","","","","","","1.065","","","","has coordinates","230691","2020-10-21","18:00:00",""
"7156430","6.9592","0.0004","9.9148","0.0005","27.7881","0.0015","90","","90","","90","","1917.35","0.18","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.035","0.0337","","","0.0882","0.0894","","","","","","1.05","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156431","10.5475","0.0015","20.671","0.003","24.988","0.004","90","","90","","90","","5448.1","1.4","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C228 H216 F36 N12 O48 -","12","3","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.1068","0.0704","","","0.1662","0.1921","","","","","","0.981","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156432","8.0982","0.0007","16.4309","0.0013","10.0674","0.0008","90","","113.247","0.002","90","","1230.82","0.18","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O2 -","- C31 H31 N O2 -","- C62 H62 N2 O4 -","2","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.0686","0.0563","","","0.0942","0.0986","","","","","","1.146","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156433","7.6334","0.0016","14.828","0.003","15.793","0.003","90","","90","","90","","1787.6","0.6","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.051","0.0499","","","0.1238","0.125","","","","","","1.066","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156434","5.56","0.005","7.747","0.007","22.119","0.019","90","","91.199","0.016","90","","952.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.1177","0.0756","","","0.1612","0.1789","","","","","","0.934","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156435","10.1019","0.0017","9.4796","0.0016","9.9375","0.0017","90","","90","","90","","951.6","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0415","0.0378","","","0.0851","0.0865","","","","","","1.035","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156436","5.605","0.002","7.129","0.003","24.013","0.009","90","","90","","90","","959.5","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0563","0.0478","","","0.1044","0.1075","","","","","","1.086","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156437","8.3403","0.0002","15.6568","0.0004","16.7849","0.0004","90","","90","","90","","2191.81","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 Br O5 -","- C26 H17 Br O5 -","- C104 H68 Br4 O20 -","4","1","","Xu, Han; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Catalytic asymmetric Tamura cycloaddition of homophthalic anhydrides with 2-arylidene-1,3-diones.","Organic & biomolecular chemistry","2018","16","39","7214","7222","10.1039/c8ob01970c","","","0.71073","MoKα","","0.0327","0.0276","","","0.0669","0.0694","","","","","","1.022","","","","has coordinates","230695","2020-10-21","18:00:00",""
"7156438","16.19","0.002","19.621","0.003","8.6624","0.0015","90","","95.873","0.013","90","","2737.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O4 -","- C31 H26 N2 O4 -","- C124 H104 N8 O16 -","4","1","","Wang, Qing; Huang, Kun; Cai, Songtao; Liu, Chang; Jiao, Xiaojie; He, Song; Zhao, Liancheng; Zeng, Xianshun","Synthesis of near-infrared fluorescent rhodamines via an S<sub>N</sub>Ar<sup>H</sup> reaction and their biological applications.","Organic & biomolecular chemistry","2018","16","39","7163","7169","10.1039/c8ob01701h","","x-ray","0.71073","MoKα","","0.1093","0.0577","","","0.1378","0.1599","","","","","","0.918","","","","has coordinates","230694","2020-10-21","18:00:00",""
"7156439","9.4624","0.0008","10.6408","0.0009","12.1773","0.0011","65.565","0.001","86.673","0.002","68.952","0.001","1035.87","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Wang, Jia-Yin; Xie, Feng-Lie; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Atom-economic synthesis of cyclobuta[a]naphthalen-4-ols via a base-promoted [2 + 2] cycloaddition/1,6-nucleophilic addition cascade.","Organic & biomolecular chemistry","2018","16","39","7104","7108","10.1039/c8ob02042f","","","0.71073","MoKα","","0.0755","0.0471","","","0.1048","0.1151","","","","","","1.049","","","","has coordinates","230692","2020-10-21","18:00:00",""
"7156440","7.2034","0.0005","10.7772","0.0007","10.7933","0.0007","103.292","0.006","93.266","0.005","105.419","0.006","779.86","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","1","","Pan, Xuan; Ma, Yantao; Liu, Zhanzhu","A concise synthesis of (E)-3-aryl-2,3,4,5-tetrahydro-1H-3-benzazonines by aryne induced [2,3] Stevens rearrangement of 1,2,3,4-tetrahydroisoquinolines.","Organic & biomolecular chemistry","2018","16","40","7393","7399","10.1039/c8ob02099j","","x-ray","0.71073","MoKα","","0.0545","0.0445","","","0.1043","0.1132","","","","","","1.03","","","","has coordinates","230782","2020-10-21","18:00:00",""
"7156441","8.9977","0.0004","10.0861","0.0006","14.7007","0.0006","86.402","0.004","72.916","0.004","65.81","0.005","1160.73","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0466","0.0422","","","0.1138","0.12","","","","","","1.035","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156442","8.7113","0.0004","9.9865","0.0005","14.7594","0.0008","78.689","0.004","73.106","0.005","64.253","0.005","1102.97","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0626","0.0538","","","0.142","0.1563","","","","","","1.03","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156443","10.8008","0.0007","7.1714","0.0003","12.5418","0.0007","90","","101.366","0.002","90","","952.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai","Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","40","7346","7350","10.1039/c8ob02111b","","x-ray","0.71073","MoKα","","0.0305","0.0283","","","0.0697","0.0718","","","","","","1.029","","","","has coordinates","230781","2020-10-21","18:00:00",""
"7156444","17.651","0.004","11.598","0.003","18.625","0.005","90","","98.778","0.005","90","","3768.2","1.6","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br2 O10 -","- C38 H34 Br2 O10 -","- C152 H136 Br8 O40 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.1436","0.0647","","","0.1534","0.1871","","","","","","0.999","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156445","13.541","0.008","9.928","0.006","20.222","0.015","90","","90.67","0.014","90","","2718","3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O5 -","- C31 H23 N O5 -","- C124 H92 N4 O20 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.2578","0.0936","","","0.2429","0.2884","","","","","","0.859","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156446","7.0651","0.0002","7.1483","0.0003","17.7906","0.0005","83.865","0.003","81.293","0.002","75.066","0.003","855.97","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O5 S -","- C19 H15 N O5 S -","- C38 H30 N2 O10 S2 -","2","1","","Habert, Loïc; Retailleau, Pascal; Gillaizeau, Isabelle","Rapid synthesis of 3-amino isocoumarin derivatives from ynamides.","Organic & biomolecular chemistry","2018","16","40","7351","7355","10.1039/c8ob02305k","","x-ray","0.71073","MoKα","","0.0524","0.0425","","","0.1178","0.1244","","","","","","1.071","","","","has coordinates","230779","2020-10-21","18:00:00",""
"7156447","19.3435","0.0009","25.2081","0.0011","20.5824","0.0014","90","","110.81","0.008","90","","9381.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109 H114 Cl2 O10 -","- C109 H114 Cl2 O10 -","- C436 H456 Cl8 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1948","0.0977","","","0.2708","0.3362","","","","","","1.037","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156448","20.536","0.0005","21.5224","0.0005","20.996","0.0015","90","","109.55","0.008","90","","8744.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C109 H98 Cl4 O10 -","- C109 H98 Cl4 O10 -","- C436 H392 Cl16 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1022","0.0753","","","0.2366","0.2626","","","","","","1.087","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156449","9.0912","0.0017","17.553","0.003","20.148","0.004","90","","90","","90","","3215.2","1","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C124 H112 F8 N8 O4 S4 -","4","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.1577","0.067","","","0.178","0.2264","","","","","","0.998","","","","has coordinates","230778","2020-10-21","18:00:00",""
"7156450","11.2418","0.0017","11.3491","0.0016","11.7184","0.0018","98.339","0.003","114.149","0.003","93.521","0.003","1337.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C62 H56 F4 N4 O2 S2 -","2","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.0755","0.0588","","","0.1384","0.1492","","","","","","1.049","","","","has coordinates,has disorder","230778","2020-10-21","18:00:00",""
"7156451","12.628","0.0004","12.0003","0.0003","26.2562","0.0008","90","","96.197","0.003","90","","3955.6","0.2","299.68","0.1","299.68","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H29 N O7 -","- C42 H29 N O7 -","- C168 H116 N4 O28 -","4","1","","Wang, Qing; Jiao, Xiaojie; Liu, Chang; Huang, Kun; He, Song; Zhao, Liancheng; Zeng, Xianshun","Novel π-extended hybrid xanthene dyes with two spirolactone rings for optoelectronic and biological applications.","Organic & biomolecular chemistry","2018","16","41","7609","7618","10.1039/c8ob01671b","","x-ray","1.54184","CuKα","","0.1121","0.0974","","","0.2989","0.315","","","","","","1.052","","","","has coordinates,has disorder","230626","2020-10-21","18:00:00",""
"7156452","27.129","0.017","18.648","0.017","12.694","0.009","90","","113.879","0.012","90","","5872","8","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","oDL2tTtPP","","- C69 H74 Cl2 N6 O4 -","- C69 H74 Cl2 N6 O4 -","- C276 H296 Cl8 N24 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1834","0.1151","","","0.2942","0.3314","","","","","","1.027","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156453","15.965","0.003","27.529","0.004","15.694","0.003","90","","96.929","0.004","90","","6847","2","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL6TtPP","","- C73 H85 Cl3 N4 O4 -","- C73 H85 Cl3 N4 O4 -","- C292 H340 Cl12 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.0991","0.0821","","","0.1906","0.2015","","","","","","1.07","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156454","14.617","0.0015","14.7467","0.0011","16.7737","0.0016","103.061","0.007","96.845","0.008","96.377","0.007","3461.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","oDL4tTtPP","","- C68 H76 N4 O4 -","- C68 H75 N4 O4 -","- C136 H150 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1952","0.126","","","0.3181","0.378","","","","","","0.889","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156455","14.492","0.003","17.096","0.003","17.259","0.004","63.01","0.03","80.01","0.03","72.54","0.03","3631.2","1.7","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","DL5TtPP","","- C70 H78 N4 O4 -","- C70 H78 N4 O4 -","- C140 H156 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.2349","0.1578","","","0.3651","0.3934","","","","","","0.804","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156456","18.3696","0.0016","18.3696","0.0016","21.91","0.003","90","","90","","90","","7393.4","1.4","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","oDL2cTtPP","","- C64 H66 N4 O4 -","- C64 H66 N4 O4 -","- C256 H264 N16 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1849","0.1274","","","0.2902","0.3176","","","","","","0.897","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156457","15.6212","0.0004","31.4079","0.0012","25.8937","0.0007","90","","90","","90","","12704.2","0.7","124","3","124","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","oDL5cTtPP","","- C141 H157 Cl3 N8 O8 -","- C141 H157 Cl3 N8 O8 -","- C564 H628 Cl12 N32 O32 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","x-ray","1.54184","CuKα","","0.1347","0.0831","","","0.213","0.2486","","","","","","1.003","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156458","15.8871","0.0007","15.388","0.0006","28.3212","0.001","90","","99.078","0.004","90","","6837","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oDL4cTtPP","","- C71 H77 Cl9 N4 O4 -","- C71 H77 Cl9 N4 O4 -","- C284 H308 Cl36 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1129","0.0923","","","0.2596","0.2835","","","","","","1.024","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156459","14.0704","0.0007","15.4579","0.0008","16.7918","0.0007","94.439","0.004","104.38","0.004","95.483","0.004","3502.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL5tTtPP","","- C71 H78 Cl3 N4 O4 -","- C71 H78 Cl3 N4 O4 -","- C142 H156 Cl6 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.119","0.0868","","","0.241","0.2689","","","","","","1.088","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156460","13.8646","0.0009","15.0707","0.001","16.8583","0.0011","109.209","0.006","103.622","0.006","95.483","0.005","3174.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL3tTtPP","","- C69 H74 Cl6 N4 O5 -","- C69 H65 Cl6 N4 O5 -","- C138 H130 Cl12 N8 O10 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1372","0.1076","","","0.293","0.335","","","","","","1.196","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156461","15.686","0.003","17.859","0.004","30.123","0.006","83.93","0.03","80.74","0.03","65.76","0.03","7587","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","DL7TtPP","","- C76 H87 Cl6 N4 O4 -","- C76 H87 Cl6 N4 O4 -","- C304 H348 Cl24 N16 O16 -","4","2","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1615","0.1116","","","0.312","0.3652","","","","","","1.157","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156462","14.032","0.0014","16.469","0.0018","16.525","0.0018","114.288","0.013","91.261","0.002","94.928","0.015","3461","0.7","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","DL4TtPP","","- C74 H79 N5 O6 -","- C74 H79 N5 O6 -","- C148 H158 N10 O12 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54187","CuKα","","0.0766","0.0699","","","0.1908","0.2047","","","","","","1.089","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156463","16.2769","0.0018","18.6656","0.0014","19.3939","0.0016","90","","90","","90","","5892.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oDL3cTtPP","","- C66 H70 N4 O4 -","- C66 H70 N4 O4 -","- C264 H280 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1421","0.1041","","","0.28","0.3139","","","","","","1","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156466","7.2086","0.0002","12.6711","0.0004","8.3699","0.0003","90","","98.408","0.003","90","","756.3","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C40 H26 N2 O6 -","2","1","","Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar","Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].","Organic & biomolecular chemistry","2018","16","42","7861","7870","10.1039/c8ob01496e","","","1.54184","CuKα","","0.0448","0.0426","","","0.1169","0.1204","","","","","","1.083","","","","has coordinates","230689","2020-10-21","18:00:00",""
"7156467","8.2532","0.0008","11.5789","0.0013","13.3091","0.0016","76.209","0.01","88.157","0.009","74.094","0.009","1187.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(diethoxyphosphoryl)isoxazole-3-carboxylic acid","","- C8 H12 N O6 P -","- C8 H12 N O6 P -","- C32 H48 N4 O24 P4 -","4","2","","Chalyk, Bohdan A.; Sosedko, Alona S.; Volochnyuk, Dmitriy M.; Tolmachev, Andrey A.; Gavrilenko, Konstantin S.; Liashuk, Oleksandr S.; Grygorenko, Oleksandr O.","Regioselective synthesis of isoxazole and 1,2,4-oxadiazole-derived phosphonates via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","47","9152","9164","10.1039/c8ob02257g","","","0.71073","MoKα","","0.1456","0.0581","","","0.1181","0.1483","","","","","","0.879","","","","has coordinates,has disorder","230761","2020-10-21","18:00:00",""
"7156468","6.8559","0.0006","13.8455","0.0012","12.3109","0.0011","90","","97.553","0.003","90","","1158.45","0.18","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","1","","Huang, Songhai; Niu, Pengfei; Su, Yingpeng; Hu, Dongcheng; Huo, Congde","Tandem radical cyclization of N-methacryloyl benzamides with CBr<sub>4</sub> to construct brominated isoquinolinediones.","Organic & biomolecular chemistry","2018","16","41","7748","7752","10.1039/c8ob01964a","","","0.71073","MoKα","","0.0715","0.0573","","","0.134","0.1412","","","","","","1.059","","","","has coordinates","230627","2020-10-21","18:00:00",""
"7156469","13.3657","0.0005","10.039","0.0003","15.8436","0.0005","90","","97.407","0.003","90","","2108.13","0.12","162","30","162","30","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Li, Fen; Li, Xiaohui; Zhang, Xin","Dynamic Diels-Alder reactions of maleimide-furan amphiphiles and their fluorescence ON/OFF behaviours.","Organic & biomolecular chemistry","2018","16","42","7871","7877","10.1039/c8ob01944d","","","0.71073","MoKα","","0.0672","0.0497","","","0.1138","0.1256","","","","","","1.043","","","","has coordinates","230679","2020-10-21","18:00:00",""
"7156470","9.6173","0.001","12.7178","0.001","11.2532","0.001","90","","95.476","0.01","90","","1370.1","0.2","295.05","0.1","295.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.0953","0.0608","","","0.1625","0.1982","","","","","","1.041","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156471","22.0489","0.0005","15.0516","0.0003","18.1612","0.0004","90","","108.711","0.003","90","","5708.6","0.2","290.04","0.1","290.04","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N O -","- C18 H17 N O -","- C288 H272 N16 O16 -","16","2","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","x-ray","1.54184","CuKα","","0.0506","0.0416","","","0.1075","0.1155","","","","","","1.034","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156472","9.2569","0.0018","15.608","0.002","10.8924","0.0018","90","","105.432","0.019","90","","1517","0.5","232","6","232","6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.1253","0.0812","","","0.1884","0.2195","","","","","","1.106","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156473","8.4795","0.0003","11.3762","0.0004","16.221","0.0005","90","","92.399","0.003","90","","1563.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","1.54184","CuKα","","0.0518","0.043","","","0.1103","0.1183","","","","","","1.059","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156474","6.2318","0.0001","19.0611","0.0003","30.5102","0.0004","90","","95.174","0.001","90","","3609.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C184 H136 Cl8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.057","0.0525","","","0.153","0.1576","","","","","","1.08","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156475","30.335","0.006","5.7303","0.001","7.396","0.0018","90","","92.47","0.02","90","","1284.4","0.5","100","3","100","3","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.1187","0.0982","","","0.2545","0.2959","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156476","6.20717","0.00015","38.6061","0.0011","14.5881","0.0003","90","","99.406","0.002","90","","3448.81","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C184 H136 F8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0472","0.0418","","","0.1103","0.1144","","","","","","1.073","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156477","8.47709","0.00019","19.3161","0.0004","10.6412","0.0002","90","","96.21","0.002","90","","1732.21","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C92 H68 F4 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","","0.71073","MoKα","","0.0477","0.0399","","","0.0972","0.1018","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156478","7.6982","0.0005","12.0382","0.0007","17.5134","0.0012","90","","90","","90","","1623.01","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0566","0.0508","","","0.1173","0.1205","","","","","","1.042","","","","has coordinates,has disorder","230687","2020-10-21","18:00:00",""
"7156479","7.7514","0.0001","12.0257","0.0002","17.7094","0.0003","90","","90","","90","","1650.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0747","0.0756","","","","","","1.06","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156480","12.8458","0.0005","5.3427","0.0002","24.6144","0.001","90","","101.767","0.003","90","","1653.82","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2h","N-Phenyl-N'-propyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","","","0.0696","0.0495","","","0.1324","0.1416","","","","","","1.007","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156481","13.0104","0.0007","5.4301","0.0003","24.2997","0.0015","90","","101.772","0.004","90","","1680.61","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2i","N-Phenyl-N'-isopropyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","CuKα","","0.0546","0.0469","","","0.1317","0.1377","","","","","","1.055","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156482","34.665","0.004","6.9265","0.0009","14.4146","0.0018","90","","113.137","0.001","90","","3182.7","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4g","N-Phenyl-N'-ethyl-5-benzyl-2-iminothiazolidin-4-one","","- C18 H18 N2 O S -","- C18 H18 N2 O S -","- C144 H144 N16 O8 S8 -","8","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.038","0.031","","","0.0789","0.0871","","","","","","1.042","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156483","8.7745","0.0014","9.4352","0.0016","20.409","0.003","93.504","0.002","97.479","0.002","90.918","0.002","1671.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","5c","5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","2","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0851","0.0538","","","0.1302","0.1602","","","","","","0.999","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156484","12.413","0.0015","17.816","0.002","7.9085","0.001","90","","106.841","0.002","90","","1674","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3i","5-Benzyl-3-isopropyl-1-phenyl-2-thioxoimidazolidin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0924","0.0512","","","0.117","0.1447","","","","","","0.929","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156485","8.887","0.002","9.348","0.002","12.182","0.003","80.025","0.003","72.125","0.003","88.273","0.003","948.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","3j","N',5-Dibenzyl-N-phenyl-2-thiohydantoin","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0429","0.0365","","","0.0914","0.0954","","","","","","1.065","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156486","13.613","0.002","5.3251","0.0009","26.026","0.004","90","","95.958","0.003","90","","1876.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2j","N-Phenyl-N'-benzyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0974","0.0521","","","0.1235","0.1597","","","","","","0.966","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156487","11.016","0.0004","11.9919","0.0004","13.0752","0.0005","89.518","0.001","75.55","0.001","80.31","0.001","1647.74","0.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","phenylethynyl trimethylsilyl indol","1-(phenylethynyl)2-(trimethylsilyl)-1H-indol","","- C38 H38 N2 Si2 -","- C38 H38 N2 Si2 -","- C76 H76 N4 Si4 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi F.; Jardim, Natalia S.; Nogueira, Cristina W.; Zeni, Gilson","Synthesis and anticholinesterase activity of 2-substituted-N-alkynylindoles.","Organic & biomolecular chemistry","2018","16","42","7926","7934","10.1039/c8ob02165a","","","0.71073","MoKα","","0.0435","0.0355","","","0.0903","0.0946","","","","","","1.051","","","","has coordinates","230682","2020-10-21","18:00:00",""
"7156488","11.7077","0.0018","9.7297","0.0013","18.751","0.002","90","","116.691","0.008","90","","1908.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br O -","- C24 H21 Br O -","- C96 H84 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0748","0.043","","","0.0904","0.1034","","","","","","1.03","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156489","12.928","0.003","16.007","0.004","8.3586","0.0016","90","","94.097","0.007","90","","1725.3","0.7","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0972","0.0444","","","0.0916","0.1049","","","","","","1.034","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156491","10.994","0.0002","17.4175","0.0004","19.4407","0.0004","90","","90","","90","","3722.66","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Guo, Yi; Zhang, Na; Sun, Weiguang; Duan, Xueyan; Zhang, Qing; Zhou, Qun; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Liu, Junjun; Li, Xiao-Nian; Xue, Yongbo; Zhang, Yonghui","Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum.","Organic & biomolecular chemistry","2018","16","43","8130","8143","10.1039/c8ob02067a","","","1.54178","CuKα","","0.0423","0.042","","","0.1099","0.1102","","","","","","1.059","","","","has coordinates","230665","2020-10-21","18:00:00",""
"7156492","11.7774","0.0002","22.0334","0.0004","14.1047","0.0003","90","","104.437","0.001","90","","3544.54","0.12","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C176 H136 N40 -","8","2","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0469","0.0352","","","0.0786","0.0844","","","","","","1.044","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156493","9.8081","0.0002","15.076","0.0003","26.6668","0.0005","90","","90","","90","","3943.14","0.13","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 F3 N5 -","- C23 H16 F3 N5 -","- C184 H128 F24 N40 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0899","0.0641","","","0.1573","0.173","","","","","","1.057","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156494","8.1","0.0002","24.9541","0.0007","9.6074","0.0003","90","","97.478","0.002","90","","1925.41","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.103","0.0695","","","0.1672","0.1872","","","","","","1.069","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156495","10.0604","0.0002","14.9961","0.0003","25.8051","0.0006","90","","90","","90","","3893.13","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl2 N6 -","- C21 H16 Cl2 N6 -","- C168 H128 Cl16 N48 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.026","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156496","8.3507","0.0002","22.0757","0.0006","10.0712","0.0003","90","","113.691","0.0006","90","","1700.14","0.08","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N5 -","- C21 H15 N5 -","- C84 H60 N20 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0246","0.0242","","","0.061","0.0612","","","","","","1.055","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156497","5.2634","0.0005","12.909","0.002","14.964","0.002","73.896","0.014","89.385","0.01","80.113","0.011","961.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Dahiya, Anjali; Ali, Wajid; Alam, Tipu; Patel, Bhisma K.","A cascade synthesis of S-allyl benzoylcarbamothioates via Mumm-type rearrangement.","Organic & biomolecular chemistry","2018","16","42","7787","7791","10.1039/c8ob02293c","","","0.71073","MoKα","","0.1253","0.0786","","","0.143","0.196","","","","","","1.134","","","","has coordinates","230678","2020-10-21","18:00:00",""
"7156498","20.6903","0.0003","5.75339","0.00009","23.2601","0.0003","90","","110.085","0.002","90","","2600.48","0.07","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","Boc-(S)-(αMe)Aze-(S)-Ala-(S)-(αMe)Aze-(S)-Ala-OMe","","- C22 H36 N4 O7 -","- C22 H36 N4 O7 -","- C88 H144 N16 O28 -","4","1","","Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","A novel peptide conformation: the γ-bend ribbon.","Organic & biomolecular chemistry","2018","16","42","7947","7958","10.1039/c8ob02279h","","","1.54178","CuKα","","0.0401","0.0387","","","0.1166","0.1187","","","","","","1.057","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156499","14.8911","0.0018","14.8911","0.0018","14.4517","0.0016","90","","90","","90","","3204.6","0.7","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C81 H45 Br4 N5 Zn -","- C81 H45 Br4 N5 Zn -","- C162 H90 Br8 N10 Zn2 -","2","0.25","","Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane","Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.","Organic & biomolecular chemistry","2018","16","43","8106","8114","10.1039/c8ob02150c","","","0.71073","MoKα","","0.0851","0.0643","","","0.1541","0.1619","","","","","","1.085","","","","has coordinates","230663","2020-10-21","18:00:00",""
"7156500","6.6889","0.0007","20.404","0.002","6.7943","0.0007","90","","102.245","0.009","90","","906.19","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C28 H60 N12 S4 -","4","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0899","0.0707","","","0.1534","0.1693","","","","","","1.097","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156501","22.7327","0.001","9.7061","0.0004","10.6589","0.0004","90","","105.34","0.003","90","","2268.05","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0577","0.0366","","","0.0839","0.0935","","","","","","1.028","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156502","8.6412","0.0018","10.61","0.002","12.608","0.003","90","","106.492","0.009","90","","1108.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.1555","0.091","","","0.2269","0.259","","","","","","1.085","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156503","5.6776","0.0005","8.9813","0.0009","20.467","0.002","90","","91.743","0.005","90","","1043.18","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 S -","- C9 H17 N3 S -","- C36 H68 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0773","0.0481","","","0.0949","0.1054","","","","","","1.043","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156504","7.2701","0.0008","12.9061","0.0011","18.374","0.002","90","","90","","90","","1724","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C56 H120 N24 O8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0826","0.056","","","0.1296","0.1489","","","","","","1.11","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156505","17.298","0.002","5.9353","0.0008","33.483","0.004","90","","90","","90","","3437.7","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C144 H120 F24 N16 O24 -","8","1","","Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian","Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.","Organic & biomolecular chemistry","2018","16","43","8011","8014","10.1039/c8ob02321b","","","0.71073","MoKα","","0.0691","0.0529","","","0.1351","0.1451","","","","","","1.038","","","","has coordinates,has disorder","230662","2020-10-21","18:00:00",""
"7156506","8.0308","0.0012","7.8229","0.001","12.8172","0.0018","90","","90","","90","","805.23","0.19","174","2","174","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C24 H24 N32 O8 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0915","0.0485","","","0.0948","0.1114","","","","","","1.043","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156507","5.7793","0.0006","11.6585","0.0015","5.7805","0.0006","90","","100.28","0.004","90","","383.23","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O2 -","- C6 H2 N8 O2 -","- C12 H4 N16 O4 -","2","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0838","0.0448","","","0.0844","0.0988","","","","","","1.056","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156508","19.2788","0.0012","5.4732","0.0004","19.4681","0.0013","90","","111.922","0.002","90","","1905.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3.33 N4 O3.67 -","- C4 H3.33333 N4 O3.66667 -","- C48 H40 N48 O44 -","12","3","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0869","0.0468","","","0.0862","0.0985","","","","","","1.054","","","","has coordinates,has disorder","230664","2020-10-21","18:00:00",""
"7156509","14.2864","0.0013","5.3688","0.0005","19.4632","0.0016","90","","108.952","0.003","90","","1411.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Liu, Kun; Shang, Xinye; Cheng, Yuyu; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Regioselective [3 + 2]-annulation of hydrazonyl chlorides with 1,3-dicarbonyl compounds for assembling of polysubstituted pyrazoles.","Organic & biomolecular chemistry","2018","16","42","7811","7814","10.1039/c8ob02352b","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1004","0.1067","","","","","","1.043","","","","has coordinates","230686","2020-10-21","18:00:00",""
"7156510","10.0847","0.0003","12.3157","0.0004","23.0056","0.0007","90","","90","","90","","2857.3","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F6 N4 O4 S -","- C28 H30 F6 N4 O4 S -","- C112 H120 F24 N16 O16 S4 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","0.71073","MoKα","","0.0517","0.0458","","","0.1113","0.1144","","","","","","1.103","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156511","9.3038","0.0003","9.3038","0.0003","33.9408","0.0013","90","","90","","120","","2544.33","0.15","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C114 H102 N6 O36 -","6","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","1.54178","CuKα","","0.0256","0.0256","","","0.0661","0.0661","","","","","","1.06","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156512","9.8247","0.0005","11.526","0.0006","11.6543","0.0005","86.407","0.004","74.525","0.004","72.819","0.005","1214.94","0.11","266","10","266","10","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Br N O4 S -","- C29 H20 Br N O4 S -","- C58 H40 Br2 N2 O8 S2 -","2","1","","Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei","Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.","Organic & biomolecular chemistry","2018","16","43","8169","8174","10.1039/c8ob02034e","","x-ray","1.54184","CuKα","","0.0612","0.0578","","","0.1459","0.1505","","","","","","1.086","","","","has coordinates","230666","2020-10-21","18:00:00",""
"7156513","9.2784","0.0004","14.1722","0.0006","9.8379","0.0004","90","","114.077","0.001","90","","1181.09","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2,2-trifluoro-1-[1-phenyl-3-(2-phenylethynyl)-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-<i>a</i>]quinolin-2-yl]-1-ethanone","","- C29 H17 F6 N O2 -","- C29 H17 F6 N O2 -","- C58 H34 F12 N2 O4 -","2","1","","Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.","Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.","Organic & biomolecular chemistry","2018","16","43","8038","8041","10.1039/c8ob02379d","","","0.71073","MoKα","","0.051","0.0366","","","0.0701","0.0746","","","","","","1.023","","","","has coordinates","230661","2020-10-21","18:00:00",""
"7156514","11.6754","0.0005","11.052","0.0004","11.6067","0.0004","90","","108.497","0.001","90","","1420.32","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N -","- C20 H13 N -","- C80 H52 N4 -","4","1","","Mylavarapu, Saketh; Yadav, Mamta; Bhanuchandra, M.","KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S<sub>N</sub>Ar-decyanation-based arylation.","Organic & biomolecular chemistry","2018","16","42","7815","7819","10.1039/c8ob02355g","","","0.71073","MoKα","","0.0563","0.0477","","","0.1346","0.1437","","","","","","1.043","","","","has coordinates","230676","2020-10-21","18:00:00",""
"7156515","9.1358","0.0003","18.8753","0.0007","20.9542","0.0007","90","","90","","90","","3613.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun","A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.","Organic & biomolecular chemistry","2018","16","42","7959","7963","10.1039/c8ob02288g","","","0.71073","MoKα","","0.0702","0.061","","","0.1238","0.1284","","","","","","1.211","","","","has coordinates","230680","2020-10-21","18:00:00",""
"7156516","13.4246","0.0012","7.175","0.0007","17.1559","0.0014","90","","97.007","0.003","90","","1640.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Wang, Qiumei; Yang, Chao; Jiang, Chao","Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.","Organic & biomolecular chemistry","2018","16","43","8196","8204","10.1039/c8ob02232a","","","0.71073","MoKα","","0.1144","0.0594","","","0.1469","0.1762","","","","","","0.944","","","","has coordinates","230667","2020-10-21","18:00:00",""
"7156517","11.942","0.0008","12.7737","0.0009","12.9601","0.0008","91.778","0.003","102.372","0.003","102.443","0.003","1879.5","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 N8 -","- C50 H36 N8 -","- C100 H72 N16 -","2","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0761","0.0523","","","0.1369","0.1617","","","","","","1.069","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156518","7.7966","0.0006","14.3031","0.0012","18.1018","0.0015","90","","90","","90","","2018.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Br N4 -","- C25 H17 Br N4 -","- C100 H68 Br4 N16 -","4","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0668","0.0433","","","0.1075","0.1284","","","","","","0.999","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156519","11.2746","0.0001","16.1738","0.0002","18.2342","0.0002","90","","90","","90","","3325.06","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Baefrutone A","bf-54","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao","Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.","Organic & biomolecular chemistry","2018","16","44","8513","8524","10.1039/c8ob02433b","","","1.54184","CuKα","","0.0398","0.0374","","","0.1075","0.1104","","","","","","1.051","","","","has coordinates","230609","2020-10-21","18:00:00",""
"7156520","10.7346","0.0013","11.0951","0.0009","13.403","0.002","98.488","0.009","113.22","0.013","108.845","0.009","1317.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl N3 O Rh -","- C27 H33 Cl N3 O Rh -","- C54 H66 Cl2 N6 O2 Rh2 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0659","0.0445","","","0.0864","0.0995","","","","","","1.029","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156521","13.7264","0.0008","8.0434","0.0004","22.4695","0.0013","90","","97.451","0.006","90","","2459.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0634","0.0471","","","0.1145","0.1281","","","","","","1.024","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156522","9.6158","0.0011","14.3878","0.0019","15.7308","0.0015","63.487","0.011","72.881","0.009","74.459","0.011","1837.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N3 O6 -","- C39 H45 N3 O6 -","- C78 H90 N6 O12 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.225","0.1104","","","0.2908","0.4014","","","","","","1.019","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156523","11.6524","0.0004","15.998","0.0006","18.6279","0.0008","90","","90","","90","","3472.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 I N O -","- C16 H19 F3 I N O -","- C128 H152 F24 I8 N8 O8 -","8","2","","Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen","Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).","Organic & biomolecular chemistry","2018","16","44","8472","8476","10.1039/c8ob02457j","","","0.71073","MoKα","","0.0392","0.0312","","","0.0673","0.0718","","","","","","1.019","","","","has coordinates","230601","2020-10-21","18:00:00",""
"7156530","8.5002","0.0007","9.3931","0.0008","13.1098","0.0011","83.094","0.002","80.207","0.002","80.262","0.002","1012.1","0.15","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C48 H34 Cl2 N4 O6 -","2","1","","Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Karishma, Pidiyara; Markad, Datta; Mandal, Sanjay K.; Sakhuja, Rajeev","Iridium-catalyzed [4 + 2] annulation of 1-arylindazolones with α-diazo carbonyl compounds: access to indazolone-fused cinnolines.","Organic & biomolecular chemistry","2018","16","44","8585","8595","10.1039/c8ob01681j","","","0.71073","MoKα","","0.0509","0.04","","","0.1147","0.1316","","","","","","1.085","","","","has coordinates","230603","2020-10-21","18:00:00",""
"7156531","10.4021","0.0013","11.1622","0.0014","18.137","0.002","73.826","0.002","89.528","0.002","62.611","0.001","1778","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","2","","Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.","Organic & biomolecular chemistry","2018","16","44","8477","8480","10.1039/c8ob02557f","","","0.71073","MoKα","","0.0571","0.045","","","0.1046","0.1169","","","","","","1.068","","","","has coordinates","230605","2020-10-21","18:00:00",""
"7156532","13.042","","5.681","","14.602","","90","","98.86","","90","","1068.98","","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C52 H36 N12 O4 -","4","1","","Chen, Zhengwang; Liang, Pei; Liu, Botao; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Ye, Min","A facile tandem decyanation/cyanation reaction of α-iminonitriles toward cyano-substituted amides.","Organic & biomolecular chemistry","2018","16","44","8481","8485","10.1039/c8ob02186d","","","0.71073","MoKα","","0.1469","0.1114","","","0.2549","0.2965","","","","","","1.102","","","","has coordinates","230607","2020-10-21","18:00:00",""
"7156533","20.052","0.004","6.3001","0.0012","48.442","0.009","90","","96.918","0.009","90","","6075","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N O Si -","- C36 H35 N O Si -","- C288 H280 N8 O8 Si8 -","8","1","","Xu, Murong; Zheng, Zhong; Wang, Mengdan; Kong, Lingkai; Ao, Yujuan; Li, Yanzhong","Cobalt-catalyzed regioselective syntheses of indeno[2,1-c]pyridines from nitriles and diynes bearing propargyl fragments.","Organic & biomolecular chemistry","2018","16","45","8761","8768","10.1039/c8ob02419g","","","0.71073","MoKα","","0.141","0.089","","","0.1895","0.2157","","","","","","1.117","","","","has coordinates","230853","2020-10-21","18:00:00",""
"7156534","9.8834","0.0003","10.2262","0.0003","13.9008","0.0004","90","","90","","90","","1404.95","0.07","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54178","CuKα","","0.0394","0.038","","","0.1003","0.1017","","","","","","1.066","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156535","7.3868","0.0004","17.0662","0.0009","23.1039","0.0011","90","","90","","90","","2912.6","0.3","253","8","253","8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","0.71073","MoKα","","0.1129","0.0657","","","0.1187","0.1497","","","","","","1.057","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156536","7.3514","0.0003","7.7395","0.0003","16.0309","0.0006","90","","94.117","0.004","90","","909.74","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54184","CuKα","","0.0332","0.0327","","","0.0855","0.086","","","","","","1.072","","","","has coordinates","230606","2020-10-21","18:00:00",""
"7156537","12.2631","0.0004","13.767","0.0004","19.0767","0.0006","71.606","0.002","87.408","0.003","63.944","0.001","2728.97","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Cl6 N5 O2 P2 Pd -","- C53 H45 Cl6 N5 O2 P2 Pd -","- C106 H90 Cl12 N10 O4 P4 Pd2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1193","0.0548","","","0.1275","0.1648","","","","","","1.013","","","","has coordinates,has disorder","230608","2020-10-21","18:00:00",""
"7156538","8.7446","0.0004","11.529","0.0007","15.2091","0.0008","90","","105.14","0.003","90","","1480.11","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O -","- C17 H15 N5 O -","- C68 H60 N20 O4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0901","0.0478","","","0.1156","0.1397","","","","","","1.055","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156539","14.0025","0.0017","13.5967","0.0018","15.1462","0.0014","90","","116.114","0.005","90","","2589.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N10 Pd -","- C26 H20 N10 Pd -","- C104 H80 N40 Pd4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1008","0.048","","","0.0889","0.1127","","","","","","1","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156540","6.7614","0.0003","8.5686","0.0004","11.9894","0.0004","77.8244","0.0014","77.638","0.002","85.281","0.002","662.75","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F N5 O -","- C15 H10 F N5 O -","- C30 H20 F2 N10 O2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0557","0.0373","","","0.0873","0.1018","","","","","","1.049","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156542","7.8748","0.0004","14.7543","0.0006","15.7507","0.0006","68.6045","0.0014","85.8107","0.0017","77.4717","0.0017","1663.3","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei","Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.","Organic & biomolecular chemistry","2018","16","45","8783","8790","10.1039/c8ob02237b","","","0.71073","MoKα","","0.1203","0.0899","","","0.2091","0.2241","","","","","","1.162","","","","has coordinates","230855","2020-10-21","18:00:00",""
"7156543","8.8265","0.0002","21.615","0.0004","30.7813","0.0005","90","","90","","90","","5872.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C252 H384 O60 -","12","3","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.032","0.0319","","","0.082","0.0821","","","","","","1.054","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156544","6.3056","0.0002","17.1631","0.0006","17.9081","0.0007","90","","92.519","0.001","90","","1936.21","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","2","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.0716","0.0705","","","0.1996","0.2013","","","","","","1.089","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156545","6.856","","15.7693","0.0001","9.6944","0.0001","90","","101.609","0.001","90","","1026.66","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C44 H72 O8 -","2","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0279","0.0278","","","0.0735","0.0736","","","","","","1.105","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156546","9.0892","0.0001","9.9719","0.0001","17.8361","0.0001","90","","90","","90","","1616.6","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0336","0.0331","","","0.0839","0.0842","","","","","","1.085","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156547","13.2298","0.0003","10.1625","0.0003","15.5329","0.0005","90","","98.015","0.002","90","","2067.96","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N2 -","- C25 H23 Br N2 -","- C100 H92 Br4 N8 -","4","1","","Panwar, Rahul; Shally, ?; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Chemoselective synthesis of m-teraryls through ring transformation of 2H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles.","Organic & biomolecular chemistry","2018","16","46","8994","9002","10.1039/c8ob02370k","","","0.71073","MoKα","","0.0545","0.0421","","","0.1059","0.1131","","","","","","0.918","","","","has coordinates","230741","2020-10-21","18:00:00",""
"7156548","8.434","0.007","10.662","0.01","44.27","0.04","90","","90","","90","","3981","6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(2-Fluorophenyl)-3-((6-methoxybenzo[d]thiazol-2-yl)amino)-1-phenyl propan-1-one","","- C46 H37 F2 N4 O4 S2 -","- C46 H37 F2 N4 O4 S2 -","- C184 H148 F8 N16 O16 S8 -","4","1","","Li, Weihua; Wang, Yifeng; Xu, Danqian","Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.","Organic & biomolecular chemistry","2018","16","45","8704","8709","10.1039/c8ob02484g","","","0.71073","MoKα","","0.0618","0.0531","","","0.126","0.1309","","","","","","1.026","","","","has coordinates,has disorder","230856","2020-10-21","18:00:00",""
"7156549","25.4646","0.0015","16.7733","0.0009","10.4497","0.0008","90","","100.998","0.006","90","","4381.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 Cl3 N4 -","- C53 H41 Cl3 N4 -","- C212 H164 Cl12 N16 -","4","0.5","","Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia","I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.","Organic & biomolecular chemistry","2018","16","46","9030","9037","10.1039/c8ob02230e","","","1.54178","CuKα","","0.09","0.0801","","","0.2265","0.2487","","","","","","1.071","","","","has coordinates,has disorder","230748","2020-10-21","18:00:00",""
"7156550","10.932","0.003","15.037","0.004","28.078","0.007","90","","90","","90","","4616","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C200 H200 N8 O48 -","8","1","","Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen","Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.","Organic & biomolecular chemistry","2018","16","45","8854","8858","10.1039/c8ob02259c","","","0.71073","MoKα","","0.0906","0.0556","","","0.155","0.1794","","","","","","1.068","","","","has coordinates","230857","2020-10-21","18:00:00",""
"7156551","6.8817","0.001","9.377","0.0011","13.0597","0.0015","84.642","0.004","75.196","0.004","78.648","0.004","798","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Xiao, Yan; Xiong, Hao; Sun, Song; Yu, Jintao; Cheng, Jiang","Rh(iii)-Catalyzed dual C-H functionalization of 3-(1H-indol-3-yl)-3-oxopropanenitriles with sulfoxonium ylides or diazo compounds toward polysubstituted carbazoles.","Organic & biomolecular chemistry","2018","16","45","8715","8718","10.1039/c8ob02145g","","","0.71073","MoKα","","0.1087","0.092","","","0.2248","0.2452","","","","","","1.061","","","","has coordinates","230854","2020-10-21","18:00:00",""
"7156553","10.4442","0.0004","14.3318","0.0004","16.2731","0.0005","90","","96.095","0.001","90","","2422.06","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N2 O S -","- C30 H24 N2 O S -","- C120 H96 N8 O4 S4 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","Experimental and theoretical investigations of regioselective functionalization of 3-hydroxy bisindoles with thiols.","Organic & biomolecular chemistry","2018","16","47","9259","9268","10.1039/c8ob02118j","","","0.71073","MoKα","","0.0669","0.0413","","","0.1347","0.163","","","","","","1.15","","","","has coordinates","230765","2020-10-21","18:00:00",""
"7156554","9.5099","0.0003","9.7883","0.0003","23.6429","0.0007","90","","90","","90","","2200.82","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 O3 S -","- C23 H20 Cl F N2 O3 S -","- C92 H80 Cl4 F4 N8 O12 S4 -","4","1","","Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.","Organic & biomolecular chemistry","2018","16","46","8989","8993","10.1039/c8ob01786g","","","0.71073","MoKα","","0.0482","0.0387","","","0.0834","0.0903","","","","","","1.064","","","","has coordinates","230749","2020-10-21","18:00:00",""
"7156555","12.761","0.002","5.429","0.001","27.325","0.001","90","","117.22","0.03","90","","1683.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.1317","0.0543","","","0.117","0.1327","","","","","","1.079","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156556","7.979","0.003","19.9763","0.0013","13.149","0.004","90","","90","","90","","2095.8","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.122","0.0533","","","0.0967","0.1158","","","","","","0.967","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156557","11.4298","0.0006","14.3863","0.0008","15.3115","0.0008","90","","90","","90","","2517.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0377","0.0376","","","0.1013","0.1014","","","","","","1.113","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156558","7.3751","0.0003","15.7593","0.0007","10.1577","0.0004","90","","90.466","0.001","90","","1180.55","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O9 -","- C26 H34 O9 -","- C52 H68 O18 -","2","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.034","0.0339","","","0.0825","0.0825","","","","","","3.155","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156559","7.8489","0.0001","7.8505","0.0001","11.6784","0.0002","74.58","","73.43","","87.86","","664.309","0.017","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H38 O10 -","- C29 H38 O10 -","- C29 H38 O10 -","1","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0308","0.0307","","","0.0788","0.0788","","","","","","1.058","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156560","7.0433","0.0012","7.9515","0.0014","13.619","0.002","83.665","0.014","80.712","0.014","66.771","0.016","690.8","0.2","294.98","0.1","294.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","0.71073","MoKα","","0.1289","0.0671","","","0.1455","0.1918","","","","","","1.031","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156561","8.2734","0.0002","12.6013","0.0004","10.9726","0.0004","90","","104.864","0.003","90","","1105.68","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","1.54184","CuKα","","0.0461","0.0394","","","0.1117","0.1191","","","","","","1.066","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156562","10.44121","0.00016","11.19736","0.00018","11.7174","0.00018","90","","90","","90","","1369.93","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0925","0.0935","","","","","","1.095","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156563","5.32172","0.00003","11.65514","0.00005","28.13606","0.00011","90","","90","","90","","1745.15","0.014","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu","Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.","Organic & biomolecular chemistry","2018","16","45","8819","8823","10.1039/c8ob02231c","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.0616","0.0616","","","","","","1.089","","","","has coordinates","230851","2020-10-21","18:00:00",""
"7156564","12.9237","0.0004","15.5472","0.0004","39.6257","0.0012","90","","90","","90","","7961.9","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O7 -","- C41 H58 O7 -","- C328 H464 O56 -","8","2","","Wang, Wen-Li; Zhu, Dong-Rong; Luo, Jie; Liu, Fei-Yan; Chen, Chen; Zhu, Tian-Yu; Li, Ling-Nan; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taiwanoids A-D, four dimeric diterpenoids featuring tetracyclic [7. 7<sup>5, 9</sup>. 4. 0<sup>5, 10</sup>. 0<sup>8, 9</sup>] octodecane from Taiwania cryptomerioidesim.","Organic & biomolecular chemistry","2018","16","46","9059","9063","10.1039/c8ob02566e","","","1.54178","CuKα","","0.0536","0.0439","","","0.1118","0.1185","","","","","","1.02","","","","has coordinates,has disorder","230745","2020-10-21","18:00:00",""
"7156565","10.80656","0.00008","17.94783","0.0001","7.75427","0.00006","90","","110.586","0.0008","90","","1407.94","0.019","150.04","0.1","150.04","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0459","0.0451","","","0.1204","0.1217","","","","","","1.048","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156566","11.4282","0.0002","25.2193","0.0004","7.59768","0.00013","90","","104.563","0.0017","90","","2119.39","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C104 H76 B4 F8 N8 O12 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0449","0.0424","","","0.1123","0.1148","","","","","","1.063","","","","has coordinates,has disorder","230743","2020-10-21","18:00:00",""
"7156567","18.835","0.0008","7.1072","0.0003","21.7952","0.0009","90","","105.284","0.004","90","","2814.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0559","0.0508","","","0.1342","0.1432","","","","","","1.0443","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156568","16.251","0.0017","20.991","0.002","16.6756","0.0017","90","","96.331","0.002","90","","5653.8","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Macrocycle M4b (tetramethoxy)","","- C46 H48 N4 O14 -","- C46 H48 N4 O14 -","- C184 H192 N16 O56 -","4","1","","Dempsey, Janel M.; Zhang, Qi-Wei; Oliver, Allen G.; Smith, Bradley D.","New tetralactam hosts for squaraine dyes.","Organic & biomolecular chemistry","2018","16","46","8976","8983","10.1039/c8ob02596g","","","0.71073","MoKα","","0.0812","0.0471","","","0.1061","0.1189","","","","","","1.037","","","","has coordinates","230750","2020-10-21","18:00:00",""
"7156569","8.4217","0.0006","17.9017","0.0012","18.0406","0.0012","90","","90","","90","","2719.9","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.3 H2.15 N0.15 O0.44 -","- C2.2963 H2.14815 N0.148148 O0.444444 -","- C124 H116 N8 O24 -","54","13.5","","Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.","Organic & biomolecular chemistry","2018","16","46","8927","8932","10.1039/c8ob02595a","","","0.71073","MoKα","","0.1","0.0611","","","0.1507","0.1736","","","","","","1.015","","","","has coordinates","230751","2020-10-21","18:00:00",""
"7156570","9.207","0.005","14.125","0.005","18.327","0.005","96.941","0.005","90.055","0.005","90.101","0.005","2365.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H0 F20.5 N20.5 O20.5 -","- C48 H50 F14 N4 O6 -","- C96 H100 F28 N8 O12 -","2","1","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71069","MoKα","","0.1036","0.0744","","","0.1932","0.222","","","","","","1.065","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156571","12.992","0.0004","9.8081","0.0003","18.9141","0.0006","90","","97.2446","0.0014","90","","2390.92","0.13","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F N O -","- C2.2 H1.9 F0.7 N0.2 O0.5 -","- C88 H76 F28 N8 O20 -","40","10","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","1.54178","CuKα","","0.1494","0.1397","","","0.4216","0.43","","","","","","3.804","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156572","10.7013","0.001","10.572","0.0009","19.8575","0.0018","90","","103.499","0.003","90","","2184.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.83 H3.3 F1.04 I0.17 N0.35 O0.35 -","- C3.82609 H3.30435 F1.04348 I0.173913 N0.347826 O0.347826 -","- C88 H76 F24 I4 N8 O8 -","23","5.75","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71073","MoKα","","0.1559","0.1291","","","0.3365","0.3637","","","","","","1.079","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156574","9.4496","0.0008","14.01","0.0008","13.9414","0.0011","90","","106.26","0.008","90","","1771.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Gao, Feng-Teng; Fang, Zheng; Su, Rui-Rui; Rui, Pei-Xin; Hu, Xiang-Guo","Hydroximoyl fluorides as the precursors of nitrile oxides: synthesis, stability and [3 + 2]-cycloaddition with alkynes.","Organic & biomolecular chemistry","2018","16","47","9211","9217","10.1039/c8ob02721h","","","0.71073","MoKα","","0.0548","0.0477","","","0.0981","0.1013","","","","","","1.172","","","","has coordinates","230763","2020-10-21","18:00:00",""
"7156575","14.778","0.003","5.9149","0.0009","29.159","0.005","90","","90","","90","","2548.8","0.8","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C136 H88 F8 O24 -","8","1","","Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang","A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.","Organic & biomolecular chemistry","2018","16","47","9147","9151","10.1039/c8ob02582g","","","0.71073","MoKα","","0.2018","0.0801","","","0.1415","0.2043","","","","","","1.087","","","","has coordinates","230760","2020-10-21","18:00:00",""
"7156576","11.1459","0.0003","12.2398","0.0004","12.471","0.0004","67.383","0.001","76.829","0.001","77.617","0.001","1513.89","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br N3 O5 S2 -","- C26 H22 Br N3 O5 S2 -","- C52 H44 Br2 N6 O10 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0633","0.0521","","","0.1544","0.1643","","","","","","1.044","","","","has coordinates,has disorder","230764","2020-10-21","18:00:00",""
"7156577","10.6362","0.0013","13.222","0.0016","11.2568","0.0014","90","","105.849","0.002","90","","1522.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Br N3 O6 S2 -","- C29 H28 Br N3 O6 S2 -","- C58 H56 Br2 N6 O12 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0735","0.053","","","0.1374","0.1494","","","","","","1.054","","","","has coordinates","230764","2020-10-21","18:00:00",""
"7156578","7.7178","0.0007","9.2215","0.0009","9.9594","0.001","84.587","0.002","86.687","0.003","78.032","0.003","689.78","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br O3 S -","- C15 H11 Br O3 S -","- C30 H22 Br2 O6 S2 -","2","1","","Zhen, Qianqian; Huang, Dayun; Shao, Yinlin; Cheng, Tianxing; Chen, Jiuxi","Direct halosulfenylation of benzo[b]furans: a metal-free synthesis of 3-halo-2-thiobenzo[b]furans.","Organic & biomolecular chemistry","2018","16","47","9204","9210","10.1039/c8ob02680g","","","0.71073","MoKα","","0.0496","0.0394","","","0.1266","0.1643","","","","","","1.034","","","","has coordinates","230766","2020-10-21","18:00:00",""
"7156579","8.49","0.003","14.116","0.006","27.185","0.011","98.118","0.01","91.155","0.01","106.64","0.01","3084","2","296","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B4 F12 K4 O8 -","- C56 H68 B4 F12 K4 O8 -","- C112 H136 B8 F24 K8 O16 -","2","1","","Zuo, Ya-Jie; Zhong, Zhuoran; Fan, Yinkun; Li, Xiangyu; Chen, Xiaolu; Chang, Yuwei; Song, Ruihu; Fu, Xinpeng; Zhang, Anling; Zhong, Chong-Min","Copper-catalyzed diastereoselective synthesis of β-boryl-α-quaternary carbon carboxylic esters.","Organic & biomolecular chemistry","2018","16","47","9237","9242","10.1039/c8ob02469c","","","0.71073","MoKα","","0.1196","0.0578","","","0.1343","0.1632","","","","","","1.03","","","","has coordinates","230759","2020-10-21","18:00:00",""
"7156581","10.4828","0.0005","13.6099","0.0006","13.9679","0.0005","76.703","0.004","79.086","0.004","80.64","0.004","1889.45","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cl N -","- C3.09677 H2.45161 Cl0.129032 N0.258065 -","- C96 H76 Cl4 N8 -","31","15.5","","Ling, Fei; Xiao, Lian; Fang, Lu; Feng, Cong; Xie, Zhen; Lv, Yaping; Zhong, Weihui","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed Markovnikov addition of indoles to aryl alkynes: an approach toward bis(indolyl)alkanes.","Organic & biomolecular chemistry","2018","16","47","9274","9278","10.1039/c8ob02805b","","","0.71073","MoKα","","0.0868","0.0495","","","0.1115","0.1329","","","","","","1.028","","","","has coordinates","230762","2020-10-21","18:00:00",""
"7156582","9.7629","0.0004","11.7118","0.0006","13.505","0.0007","90.002","0.004","91.798","0.004","112.093","0.004","1429.97","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","Unknown","","- C33 H27 F N2 O4 S -","- C33 H27 F N2 O4 S -","- C66 H54 F2 N4 O8 S2 -","2","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of highly substituted pyrrolidines bearing a stereogenic quaternary centre at the 3-position.","Organic & biomolecular chemistry","2018","16","48","9349","9353","10.1039/c8ob02648c","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1533","0.1689","","","","","","1.0679","","","","has coordinates","230772","2020-10-21","18:00:00",""
"7156583","6.4066","0.0005","18.5404","0.0016","16.577","0.0016","90","","91.794","0.007","90","","1968.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N6 O S -","- C21 H22 N6 O S -","- C84 H88 N24 O4 S4 -","4","1","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.1936","0.0696","","","0.0681","0.0948","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156584","21.5416","0.0013","5.972","0.0004","15.4401","0.0015","90","","90","","90","","1986.3","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H44 N12 O4 -","- C44 H44 N12 O4 -","- C88 H88 N24 O8 -","2","0.5","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.11","0.0482","","","0.078","0.0984","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156585","10.1745","0.0011","11.3873","0.0013","12.287","0.0014","85.634","0.002","82.125","0.002","86.327","0.002","1404","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 Br O5 -","- C31 H33 Br O5 -","- C62 H66 Br2 O10 -","2","1","","Zhou, Jia-Yu; Ma, Chun; Zhang, Yi-Zhu; Wu, Qiong; Shi, Feng","Catalyst-free [4 + 2] cyclization of para-quinone methide derivatives with homophthalic anhydrides.","Organic & biomolecular chemistry","2018","16","48","9382","9389","10.1039/c8ob02776e","","","0.71073","MoKα","","0.0892","0.0447","","","0.1012","0.1172","","","","","","1.01","","","","has coordinates","230776","2020-10-21","18:00:00",""
"7156586","8.6715","0.0011","18.093","0.002","22.594","0.003","90","","100.433","0.004","90","","3486.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3R,4R)-4-(2-(4-methoxyphenyl)-2-oxoethyl)-4'-oxo-3'-phenyl-2'-thioxo-1-tosyl-1,4-dihydro-2H-spiro[quinoline-3,5'-thiazolidine]-2-carboxylate","","- C36 H32 N2 O7 S3 -","- C36 H32 N2 O7 S3 -","- C144 H128 N8 O28 S12 -","4","2","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of highly functionalized spirothiazolidinone tetrahydroquinolines via a squaramide-catalyzed cascade reaction.","Organic & biomolecular chemistry","2018","16","48","9390","9401","10.1039/c8ob02731e","","","0.71073","MoKα","","0.0571","0.038","","","0.0789","0.0869","","","","","","1.02","","","","has coordinates,has disorder","230775","2020-10-21","18:00:00",""
"7156591","9.0274","0.0004","12.8372","0.0005","15.1428","0.0006","80.836","0.003","75.449","0.004","70.099","0.004","1591.87","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 F6 N2 O5 S -","- C34 H27 F6 N2 O5 S -","- C68 H54 F12 N4 O10 S2 -","2","1","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.0909","0.0569","","","0.1538","0.1684","","","","","","1.041","","","","has coordinates,has disorder","230770","2020-10-21","18:00:00",""
"7156592","9.877","0.006","11.908","0.007","16.045","0.01","90","","90","","90","","1887","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C80 H56 F24 O24 -","8","2","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.1328","0.0673","","","0.1303","0.1582","","","","","","1.001","","","","has coordinates","230770","2020-10-21","18:00:00",""
"7156593","11.1159","0.0003","11.1159","0.0003","18.9404","0.0012","90","","90","","90","","2340.34","0.17","223","2","223","2","","","","","","","","5","P 41","P 4w","76","","(R)-1-(4-bromobutan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H13 Br N2 O2 -","- C9 H13 Br N2 O2 -","- C72 H104 Br8 N16 O16 -","8","2","","Lee, Su-Jeong; Ahn, Jun-Gi; Seo, Jihwan; Ha, Heun-Jong; Cho, Chang-Woo","Organocatalytic enantioselective synthesis of acyclic pyrimidine nucleosides by aza-Michael reaction.","Organic & biomolecular chemistry","2018","16","48","9477","9486","10.1039/c8ob02754d","","","0.71073","MoKα","","0.1324","0.0814","","","0.2077","0.2452","","","","","","1.037","","","","has coordinates","230771","2020-10-21","18:00:00",""
"7156594","9.4914","0.0007","13.1578","0.0009","24.0997","0.0019","90","","90.676","0.002","90","","3009.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O3 -","- C37 H30 N2 O3 -","- C148 H120 N8 O12 -","4","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","","0.71073","MoKα","","0.0632","0.0418","","","0.1195","0.1302","","","","","","1.008","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7156595","14.5095","0.0001","15.4251","0.0001","22.0039","0.0001","90","","107.777","0.001","90","","4689.56","0.06","294.15","","294.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 N2 O2 -","- C31 H24 N2 O2 -","- C248 H192 N16 O16 -","8","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","x-ray","1.54184","CuKα","","0.0375","0.0363","","","0.1001","0.101","","","","","","1.035","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7157203","7.6469","0.0006","11.4426","0.0008","19.78","0.0013","90","","93.222","0.005","90","","1728","0.2","296","2","296","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","KN-415","(3-Benzoylbenzofuran-2-yl)(p-tolyl)methanone","","- C23 H16 O3 -","- C23 H16 O3 -","- C92 H64 O12 -","4","1","","Neog, Kashmiri; Das, Babulal; Gogoi, Pranjal","2,3-Diaroyl benzofurans from arynes: sequential synthesis of 2-aroyl benzofurans followed by benzoylation.","Organic & biomolecular chemistry","2018","16","17","3138","3150","10.1039/c8ob00631h","","","0.71073","MoKα","","0.0624","0.0447","","","0.1371","0.1521","","","","","","1.056","","","","has coordinates","227924","2020-10-21","18:00:00",""
"7157204","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galai6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0457","0.0385","","","0.0934","0.0961","","","","","","1.069","","","","has coordinates","227925","2020-10-21","18:00:00",""
"7157205","24.3697","0.0019","9.1064","0.0007","6.6779","0.0006","90","","99.992","0.004","90","","1459.5","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0317","0.0314","","","0.0818","0.0824","","","","","","1.024","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157206","24.373","0.002","9.0977","0.0008","6.6706","0.0006","90","","99.828","0.004","90","","1457.4","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0355","0.0302","","","0.0716","0.0735","","","","","","0.973","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157207","24.2407","0.0008","9.1871","0.0003","6.5418","0.0003","90","","105.441","0.002","90","","1404.28","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0367","0.0331","","","0.0847","0.0865","","","","","","1.04","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157224","8.4375","0.0006","19.2059","0.0012","13.8112","0.001","90","","105.9","0.007","90","","2152.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2''-bromo-4-methyl-5'-(piperidin-1-yl)-[1,1':3',1''-terphenyl]-4'-carbonitrile","","- C2.5 H2.3 Br0.1 N0.2 -","- C2.5 H2.3 Br0.1 N0.2 -","- C100 H92 Br4 N8 -","40","10","","Althagafi, Ismail; Shaw, Ranjay; Tang, Cheng-Run; Panwar, Rahul; Shally, ?; Sinha, Chanda; Kumar, Amit; Zheng, Yong-Tang; Pratap, Ramendra","Chemoselective synthesis of isolated and fused fluorenones and their photophysical and antiviral properties.","Organic & biomolecular chemistry","2018","16","40","7477","7487","10.1039/c8ob01733f","","","0.71073","MoKα","","0.0848","0.0572","","","0.1502","0.1679","","","","","","1.039","","","","has coordinates","236878","2020-10-21","18:00:00",""