# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T05:34:50+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & Biomolecular Chemistry') AND volume = 20 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
"1567143","10.087","0.003","24.117","0.007","10.137","0.003","90","","119.385","0.008","90","","2148.7","1.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-(4-Bromobenzylidene)-4-((4-bromophenyl)ethynyl)-4-cyclopropyl-5-oxaspiro[2.4]heptan-7-one","","- C24 H18 Br2 O2 -","- C24 H18 Br2 O2 -","- C96 H72 Br8 O8 -","4","1","","Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A.","Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones","Organic & Biomolecular Chemistry","2022","20","26","5325","5333","10.1039/D2OB00854H","","","0.71073","MoKα","","0.1971","0.0694","","","0.1007","0.127","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:53",""
"7158397","5.4744","0.0003","17.602","0.0011","21.4574","0.0014","90","","90","","90","","2067.6","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F2 O7 S2 -","- C20 H18 F2 O7 S2 -","- C80 H72 F8 O28 S8 -","4","1","","Guinan, Mieke; Huang, Ningwu; Hawes, Chris S.; Lima, Marcelo A.; Smith, Mark; Miller, Gavin J.","Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues.","Organic & biomolecular chemistry","2022","20","7","1401","1406","10.1039/d1ob02097h","","","0.71073","MoKα","","0.0753","0.062","","","0.1354","0.1412","","","","","","1.179","","","","has coordinates,has disorder","273424","2022-03-04","22:24:30",""
"7158398","14.238","0.003","14.993","0.003","15.638","0.002","70.194","0.007","85.592","0.007","77.672","0.008","3068.3","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H70 N2 O12 -","- C76 H70 N2 O12 -","- C152 H140 N4 O24 -","2","1","","Spatola, Emanuele; Rispoli, Francesco; Del Giudice, Daniele; Cacciapaglia, Roberta; Casnati, Alessandro; Marchiò, Luciano; Baldini, Laura; Di Stefano, Stefano","Dissipative control of the fluorescence of a 1,3-dipyrenyl calix[4]arene in the cone conformation.","Organic & biomolecular chemistry","2021","20","1","132","138","10.1039/d1ob02096j","","","1.54178","CuKα","","0.1757","0.079","","","0.1737","0.2211","","","","","","1.017","","","","has coordinates,has disorder","272751","2022-02-04","19:59:14",""
"7158415","9.084","0.004","17.37","0.007","14.777","0.006","90","","95.273","0.006","90","","2321.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0661","0.0506","","","0.1629","0.1857","","","","","","1.047","","","","has coordinates","272752","2022-02-04","19:59:26",""
"7158416","9.3272","0.0008","13.2464","0.0012","18.7695","0.0016","90","","95.372","0.001","90","","2308.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C108 H104 N8 O24 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0423","0.0353","","","0.1019","0.1066","","","","","","1.073","","","","has coordinates","272752","2022-02-04","19:59:28",""
"7158417","7.8883","0.0006","8.1714","0.0007","10.3538","0.0008","71.537","0.002","79.335","0.002","70.634","0.003","594.83","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","1","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0288","0.0209","","","0.0451","0.0473","","","","","","1.068","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158418","9.9462","0.0008","11.8055","0.0009","7.1741","0.0007","90","","109.811","0.005","90","","792.53","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 -","- C9 H7 F N2 -","- C36 H28 F4 N8 -","4","1","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0835","0.0771","","","0.2489","0.2555","","","","","","1.175","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158419","11.5858","0.0004","11.5858","0.0004","29.2335","0.0013","90","","90","","90","","3924","0.3","193","2","193","2","","","","","","","synthesis as described","7","I -4","I -4","82","","","","- C72 H108 Cl6 Cu4 F4 N8 O -","- C72 H108 Cl6 Cu4 F4 N8 O -","- C144 H216 Cl12 Cu8 F8 N16 O2 -","2","0.25","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0673","0.0452","","","0.1045","0.1152","","","","","","1.04","","","","has coordinates,has disorder","272749","2022-02-04","19:58:58",""
"7158420","15.8734","0.0006","17.3509","0.0007","6.6216","0.0003","90","","90","","90","","1823.71","0.13","193","2","193","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0471","0.0398","","","0.1093","0.1184","","","","","","1.083","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158425","9.185","0.007","12.053","0.009","19.519","0.014","76.378","0.012","89.717","0.012","89.993","0.013","2100","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H54 S4 -","- C50 H54 S4 -","- C100 H108 S8 -","2","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.214","0.1047","","","0.208","0.2547","","","","","","1.033","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158426","6.4871","0.0013","7.1989","0.0015","17.9","0.004","92.211","0.008","97.288","0.008","102.06","0.007","809","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","1","0.5","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0428","0.0327","","","0.0816","0.0877","","","","","","1.074","","","","has coordinates,has disorder","272771","2022-02-04","20:02:24",""
"7158427","11.8779","0.0006","14.0953","0.0007","16.4691","0.0007","90","","90","","90","","2757.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 S2 -","- C36 H34 S2 -","- C144 H136 S8 -","4","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0337","0.0335","","","0.09","0.0901","","","","","","1.108","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158428","8.9341","0.0004","10.7311","0.0005","12.8284","0.0005","73.101","0.002","82.359","0.002","83.312","0.002","1162.4","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O2 -","- C30.004 H28.009 O2 -","- C60.008 H56.018 O4 -","2","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0982","0.0546","","","0.1427","0.1833","","","","","","1.016","","","","has coordinates,has disorder","272750","2022-02-04","19:59:06",""
"7158429","13.5539","0.0007","17.8625","0.0008","12.4649","0.0009","90","","122.657","0.002","90","","2540.8","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H18 Br2 O -","- C33 H18 Br2 O -","- C132 H72 Br8 O4 -","4","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0635","0.0352","","","0.0752","0.0835","","","","","","0.954","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158430","31.9258","0.0015","18.7977","0.0009","8.245","0.0004","90","","96.472","0.002","90","","4916.6","0.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 O2 -","- C34 H20 O2 -","- C272 H160 O16 -","8","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0894","0.0644","","","0.1611","0.1763","","","","","","1.083","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158434","8.9944","0.0019","10.698","0.002","11.488","0.002","116.186","0.006","111.602","0.006","90.504","0.007","902.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.0874","0.0574","","","0.149","0.1727","","","","","","1.03","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158435","5.6344","0.0003","34.671","0.0019","8.8274","0.0005","90","","92.1715","0.0018","90","","1723.2","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.057","0.0433","","","0.1049","0.112","","","","","","1.11","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158436","7.2949","0.0002","11.9167","0.0002","14.4321","0.0003","90","","90","","90","","1254.6","0.05","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 O2 -","- C30 H30 N6 O2 -","- C60 H60 N12 O4 -","2","0.5","","Goud, S. Banuprakash; Guin, Soumitra; Prakash, Meher; Samanta, Sampak","Cu(OAc)<sub>2</sub>/DABCO-mediated domino reaction of vinyl malononitriles with cyclic sulfamidate imines: access to 6-hydroxyaryl-2-aminonicotinonitriles.","Organic & biomolecular chemistry","2022","20","2","352","357","10.1039/d1ob02095a","","","0.71073","MoKα","","0.0393","0.0367","","","0.1136","0.1183","","","","","","0.998","","","","has coordinates","272772","2022-02-04","20:02:29",""
"7158437","11.6459","0.0006","18.2738","0.0009","8.8614","0.0005","90","","98.757","0.002","90","","1863.85","0.17","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Jiang, Jinyuan; Liu, Jidan; Yang, Zhenke; Zheng, Jieying; Tian, Xin; Zheng, Liyao; Liu, Zhao-Qing","Rhodium(III)-catalyzed oxidative annulation of isoquinolones with allyl alcohols: synthesis of isoindolo[2,1-<i>b</i>]isoquinolin-5(7<i>H</i>)-ones.","Organic & biomolecular chemistry","2022","20","2","339","344","10.1039/d1ob02305e","","","0.71073","MoKα","","0.0978","0.0516","","","0.1109","0.1464","","","","","","1.062","","","","has coordinates","272770","2022-02-04","20:02:17",""
"7158438","8.37408","0.00012","26.0423","0.0003","13.33213","0.00018","90","","94.8115","0.0014","90","","2897.23","0.07","112.65","0.1","112.65","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H28 N2 O9 -","- C37 H28 N2 O9 -","- C148 H112 N8 O36 -","4","2","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.041","0.0392","","","0.0956","0.0977","","","","","","1.022","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158439","11.6413","0.0001","12.8726","0.0001","25.5684","0.0004","90","","90","","90","","3831.52","0.07","293","2","294.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C168 H160 Cl8 N8 O48 -","8","1","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.0582","0.0453","","","0.1057","0.1225","","","","","","1.195","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158440","10.291","0.0009","19.2325","0.0017","8.6155","0.0007","90","","113.623","0.004","90","","1562.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Wang, Huai-Wei; Wu, Jia-Xue; Li, Da-Cheng; Qiao, Yu-Han; Yao, Qing-Xia; Sun, Wen-Can; Dou, Jian-Min","The synthesis of aryl-heteroaryl derivatives <i>via</i> the Rh<sup>III</sup>-catalyzed heteroarylation of arenes and heteroaromatic boronates.","Organic & biomolecular chemistry","2022","20","3","686","693","10.1039/d1ob02201f","","","0.71073","MoKα","","0.0857","0.0534","","","0.1284","0.143","","","","","","1.052","","","","has coordinates","272776","2022-02-04","20:02:52",""
"7158441","8.5191","0.0002","10.3297","0.0002","18.8853","0.0004","90","","96.6638","0.0008","90","","1650.67","0.06","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 S -","- C19 H15 N3 O2 S -","- C76 H60 N12 O8 S4 -","4","1","","Aggarwal, Ranjana; Hooda, Mona; Kumar, Prince; Torralba, Mari Carmen","Visible-light-mediated regioselective synthesis of novel thiazolo[3,2-<i>b</i>][1,2,4]triazoles: advantageous synthetic application of aqueous conditions.","Organic & biomolecular chemistry","2022","20","3","584","595","10.1039/d1ob02194j","","","1.54178","CuKα","","0.0496","0.0468","","","0.1295","0.1324","","","","","","1.061","","","","has coordinates","272778","2022-02-04","20:03:06",""
"7158442","10.3376","0.0005","11.2041","0.0006","11.6795","0.0006","80.99","0.002","68.532","0.001","81.497","0.002","1237.33","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C58 H64 N6 O2 -","2","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.0802","0.0566","","","0.146","0.1649","","","","","","1.036","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158443","11.0143","0.0014","15.747","0.002","15.541","0.002","90","","104.578","0.004","90","","2608.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C116 H128 N12 O4 -","4","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.1382","0.0598","","","0.1487","0.1957","","","","","","1.019","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158444","16.6926","0.0003","6.6723","0.0001","26.1236","0.0007","90","","99.22","0.002","90","","2872","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0368","0.034","","","0.0902","0.0921","","","","","","1.065","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158445","9.9698","0.0002","14.9389","0.0003","21.1714","0.0004","90","","91.459","0.002","90","","3152.2","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0557","0.0409","","","0.1035","0.111","","","","","","1.059","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158446","12.5541","0.0007","6.665","0.0004","20.2899","0.0011","90","","103.002","0.006","90","","1654.19","0.17","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Br N O3 Se -","- C17 H14 Br N O3 Se -","- C68 H56 Br4 N4 O12 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0484","0.0333","","","0.0599","0.0659","","","","","","1.037","","","","has coordinates","272775","2022-02-04","20:02:47",""
"7158447","8.0638","0.0005","8.215","0.0007","24.112","0.002","90","","90","","90","","1597.3","0.2","100.01","0.11","100.01","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S2 Se -","- C15 H17 N O2 S2 Se -","- C60 H68 N4 O8 S8 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0588","0.0485","","","0.0876","0.0923","","","","","","1.066","","","","has coordinates,has disorder","272775","2022-02-04","20:02:48",""
"7158448","10.4753","0.0014","12.8737","0.0018","24.51","0.003","90","","90","","90","","3305.3","0.8","273.15","","273.15","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.0232","0.02","","","0.0484","0.0499","","","","","","1.063","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158449","12.0825","0.0008","6.2924","0.0004","15.8782","0.001","90","","90.701","0.004","90","","1207.1","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O2 Si2 -","- C24 H30 N2 O2 Si2 -","- C48 H60 N4 O4 Si4 -","2","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.125","0.0537","","","0.1148","0.1466","","","","","","0.97","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158450","22.659","0.003","8.6862","0.0014","15.721","0.003","90","","121.417","0.009","90","","2640.6","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C128 H96 N32 O16 -","8","1","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.1352","0.0945","","","0.2506","0.2786","","","","","","1.074","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158451","11.3198","0.0004","16.1408","0.0004","12.8871","0.0006","90","","112.596","0.0009","90","","2173.86","0.14","220","2","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N4 O12 S2 -","- C38 H56 N4 O12 S2 -","- C76 H112 N8 O24 S4 -","2","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.71073","MoKα","","0.0597","0.038","","","0.0725","0.0796","","","","","","1.023","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158452","9.6129","0.0008","16.6129","0.0006","27.4345","0.0016","90","","90","","90","","4381.2","0.5","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl3 N6 O10 S -","- C36 H55 Cl3 N6 O10 S -","- C144 H220 Cl12 N24 O40 S4 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","1.54178","CuKα","","0.1044","0.0643","","","0.1405","0.1602","","","","","","1.034","","","","has coordinates,has disorder","272779","2022-02-04","20:03:24",""
"7158453","43.685","0.009","10.18","0.002","12.884","0.003","90","","103.5","0.03","90","","5571","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H73 N7 O9 -","- C48 H73 N7 O9 -","- C192 H292 N28 O36 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.7","synchrotron","","0.0483","0.0455","","","0.1252","0.1281","","","","","","1.036","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158454","12.2643","0.0009","7.5844","0.0006","21.7321","0.0016","90","","95.637","0.007","90","","2011.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrochromeno[4,3-b]pyrrole","dimethyl (E)-3-styryl-1,2,3,9b-tetrahydrochromeno[4,3-b]pyrrole-2,3a(4H)-dicarboxylate","","- C7 H0 N16 O6 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad; Agarwal, Vishal; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Azomethine ylide cycloaddition of 1,3-dienyl esters: highly regio- and diastereoselective synthesis of functionalized pyrrolidinochromenes.","Organic & biomolecular chemistry","2022","20","4","778","782","10.1039/d1ob02042k","","","0.7107","MoKα","","0.1011","0.0606","","","0.1565","0.1819","","","","","","1.07","","","","has coordinates","272760","2022-02-04","20:00:47",""
"7158455","9.6823","0.0004","10.4434","0.0004","11.6367","0.0005","82.076","0.004","78.416","0.004","65.109","0.004","1043.73","0.08","210","","210","","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2,3-bis(4-methoxyphenyl)benzo[de]chromene","","- C56 H46 O6 -","- C54 H44 O8 -","- C54 H44 O8 -","1","0.5","","Araujo Dias, Antônio Junio; Takahashi, Hiroto; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Oxidative [4 + 2] annulation of 1-naphthols with alkynes accelerated by an electron-deficient rhodium(III) catalysts.","Organic & biomolecular chemistry","2022","20","5","1008","1012","10.1039/d1ob02181h","","x-ray","0.71073","MoKα","","0.0594","0.0464","","","0.1312","0.1404","","","","","","1.062","","","","has coordinates","272754","2022-02-04","19:59:38",""
"7158456","9.1139","0.001","11.7059","0.0012","12.6851","0.0014","109.356","0.009","100.318","0.009","106.611","0.009","1166.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N O3.5 S2 -","- C25 H23 F3 N O3.5 S2 -","- C50 H46 F6 N2 O7 S4 -","2","1","","Santiago, Carlos; Jiménez-Aberasturi, Xabier; Leicea, Eztizen; Lete, Marta G.; Sotomayor, Nuria; Lete, Esther","Microwave-assisted palladium catalysed C-H acylation with aldehydes: synthesis and diversification of 3-acylthiophenes.","Organic & biomolecular chemistry","2022","20","4","852","861","10.1039/d1ob02176a","","x-ray","0.71073","MoKα","","0.1205","0.0679","","","0.1186","0.1502","","","","","","1.044","","","","has coordinates,has disorder","272764","2022-02-04","20:01:10",""
"7158457","8.4528","0.0003","10.0726","0.0004","11.6966","0.0006","77.56","0.004","75.781","0.003","68.597","0.002","890.01","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N Si -","- C20 H20 Cl N Si -","- C40 H40 Cl2 N2 Si2 -","2","1","","Cembellín, Sara; Maisuls, Iván; Daniliuc, Constantin G.; Osthues, Helena; Doltsinis, Nikos L.; Strassert, Cristian A.; Glorius, Frank","One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical properties.","Organic & biomolecular chemistry","2022","20","4","796","800","10.1039/d1ob02246f","","","0.71073","MoKα","","0.0626","0.0523","","","0.1271","0.1353","","","","","","1.068","","","","has coordinates,has disorder","272767","2022-02-04","20:02:01",""
"7158458","9.7153","0.0009","14.2963","0.0012","24.322","0.002","90","","90","","90","","3378.2","0.5","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3R,3'R,4'S,5'S)-1,1''-Dibenzyl-7-bromo-4'-(3-methyl-4-nitroisoxazol-5-yl)-5'-(trifluoromethyl)dispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-2,2''-dione","","- C37 H27 Br F3 N5 O5 -","- C37 H27 Br F3 N5 O5 -","- C148 H108 Br4 F12 N20 O20 -","4","1","","Li, Tong-Hao; Du, Da-Ming","Asymmetric synthesis of isoxazole and trifluoromethyl-containing 3,2'-pyrrolidinyl dispirooxindoles <i>via</i> squaramide-catalysed [3 + 2] cycloaddition reactions.","Organic & biomolecular chemistry","2022","20","4","817","823","10.1039/d1ob02350k","","","1.34139","GaKα","","0.049","0.0417","","","0.1028","0.1078","","","","","","1.051","","","","has coordinates","272766","2022-02-04","20:01:56",""
"7158459","14.1584","0.0016","4.6034","0.0005","14.9562","0.0016","90","","113.249","0.005","90","","895.64","0.17","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0964","0.0851","","","0.2271","0.237","","","","","","1.064","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158460","4.5507","0.001","17.161","0.004","48.011","0.01","90","","90","","90","","3749.4","1.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C168 H176 O64 -","8","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0659","0.0461","","","0.0957","0.1113","","","","","","1.058","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158461","14.126","0.004","4.5761","0.0013","14.955","0.005","90","","113.28","0.012","90","","888","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0572","0.0435","","","0.105","0.1169","","","","","","1.097","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158462","8.5427","0.0004","15.2194","0.0008","14.1219","0.0007","90","","91.418","0.002","90","","1835.49","0.16","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0392","0.0351","","","0.0896","0.097","","","","","","1.094","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158463","4.5505","0.0002","17.1723","0.0008","48.042","0.002","90","","90","","90","","3754.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 O16 -","- C42 H44 O16 -","- C168 H176 O64 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0484","0.0394","","","0.0921","0.0981","","","","","","1.072","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158464","13.66489","0.00013","15.50084","0.00013","8.21733","0.00008","90","","102.58","0.0009","90","","1698.79","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0353","0.0332","","","0.0885","0.09","","","","","","1.061","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158465","8.6051","0.0004","14.1919","0.0006","15.2989","0.0006","90","","90","","90","","1868.34","0.14","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34139","GaKα","","0.0303","0.0292","","","0.078","0.0793","","","","","","1.048","","","","has coordinates,has disorder","272781","2022-02-04","20:03:42",""
"7158466","4.53147","0.0001","14.6487","0.0002","28.5217","0.0004","85.4988","0.0012","85.95","0.0014","88.2776","0.0015","1882.15","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0634","0.0564","","","0.1549","0.1604","","","","","","1.065","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158467","14.793","0.003","17.86","0.003","26.56","0.005","90","","90","","90","","7017","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.8 H99.2 N12 O33.4 S6.2 -","- C48.7596 H99.0384 N12 O33.4796 S6.24 -","- C195.038 H396.154 N48 O133.918 S24.96 -","4","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.1557","0.0792","","","0.1533","0.185","","","","","","1.001","","","","has coordinates,has disorder","272757","2022-02-04","20:00:28",""
"7158468","12.441","0.002","12.772","0.002","20.693","0.004","75.36","0.02","79.83","0.02","89.7","0.02","3128.6","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H94 Cl8 N12 O9 -","- C48 H91.4 Cl8 N12 O8.96195 -","- C96 H182.8 Cl16 N24 O17.9239 -","2","2","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0657","0.0582","","","0.1547","0.1597","","","","","","1.036","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158469","13.082","0.002","13.444","0.002","20.564","0.003","105.35","0.02","108.36","0.02","93.77","0.02","3265.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H98.6 Cl8 N12 O11.3 -","- C48 H80 Cl8.001 N12 O11.347 -","- C96 H160 Cl16.002 N24 O22.694 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0706","0.0608","","","0.1643","0.1702","","","","","","1.02","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158470","12.815","0.003","14.444","0.003","16.933","0.005","92.83","0.02","101.95","0.02","90.36","0.02","3062.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H90 Cl8 N12 O4 -","- C51 H90 Cl8 N12 O4 -","- C102 H180 Cl16 N24 O8 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.0819","0.0562","","","0.1376","0.1536","","","","","","1.004","","","","has coordinates","272757","2022-02-04","20:00:29",""
"7158471","10.3951","0.0005","8.7516","0.0004","14.2044","0.0006","90","","95.671","0.001","90","","1285.9","0.1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C56 H60 N4 O12 S4 -","4","1","","Chen, Lu; Wang, Zhichao; Wang, Yangyang; Hao, Liqiang; Xu, Xiaobo; Wu, Gaorong; Ji, Yafei","Rhodium(III)-catalyzed cascade C-H functionalization/annulation of sulfoximines with iodonium ylides for the synthesis of cyclohexanone-1,2-benzothiazines.","Organic & biomolecular chemistry","2022","20","4","887","894","10.1039/d1ob02110a","","","0.71073","MoKα","","0.0365","0.0336","","","0.0879","0.09","","","","","","1.071","","","","has coordinates","272762","2022-02-04","20:00:58",""
"7158472","10.28331","0.00011","15.03","0.0002","33.3759","0.0005","90","","90","","90","","5158.52","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 N2 O11 -","- C51 H78 N2 O11 -","- C204 H312 N8 O44 -","4","1","","Li, Bo; Wu, Jun; Tang, Lei; Lian, Xu; Li, Zhongwen; Duan, Wenfang; Qin, Tong; Zhao, Xintong; Hu, Yuhua; Zhang, Chi; Li, Tianlei; Hao, Jie; Zhang, Wenxuan; Zhang, Jihong; Wu, Song","Synthesis and anti-tumor activity evaluation of salinomycin C20-<i>O</i>-alkyl/benzyl oxime derivatives.","Organic & biomolecular chemistry","2022","20","4","870","876","10.1039/d1ob02292j","","x-ray","1.54184","CuKα","","0.037","0.0327","","","0.0834","0.0873","","","","","","1.032","","","","has coordinates","272768","2022-02-04","20:02:07",""
"7158473","9.198","0.005","10.355","0.007","12.174","0.007","69.365","0.016","76.44","0.02","64.56","0.02","975.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O4 Se -","- C20 H21 N O4 Se -","- C40 H42 N2 O8 Se2 -","2","1","","Haider, Victoria; Zebrowski, Paul; Michalke, Jessica; Monkowius, Uwe; Waser, Mario","Enantioselective organocatalytic syntheses of α-selenated α- and β-amino acid derivatives.","Organic & biomolecular chemistry","2022","20","4","824","830","10.1039/d1ob02235k","","x-ray","0.71073","MoKα","","0.0301","0.0265","","","0.071","0.0745","","","","","","1.215","","","","has coordinates","272765","2022-02-04","20:01:16",""
"7158475","11.493","0.004","14.034","0.006","14.667","0.006","90","","102.249","0.01","90","","2311.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 6-oxo-1-phenyl-3-(p-tolyl)-6H-pyrido[1,2-a]quinoline-5-carboxylate","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C116 H92 N4 O12 -","4","1","","Gummidi, Lalitha; Muddassar, Altaf; Sharma, Gangavaram V. M.; Murugesh, V.; Suresh, Surisetti","Tandem aza-Michael addition-vinylogous aldol condensation: synthesis of <i>N</i>-bridged pyridine fused quinolones.","Organic & biomolecular chemistry","2022","20","4","773","777","10.1039/d1ob02087k","","","0.71073","MoKα","","0.1146","0.0541","","","0.1282","0.1627","","","","","","1.013","","","","has coordinates,has disorder","272761","2022-02-04","20:00:53",""
"7158476","9.8016","0.0002","10.2699","0.0002","18.6233","0.0004","90","","101.881","0.001","90","","1834.49","0.07","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","0.71073","MoKα","","0.0615","0.0492","","","0.1165","0.1239","","","","","","1.069","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158477","7.5089","0.0002","15.5665","0.0003","18.8172","0.0004","86.384","0.001","78.938","0.001","86.402","0.001","2151.44","0.08","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","2","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.0826","0.0561","","","0.1316","0.1508","","","","","","1.031","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158478","7.0437","0.0002","9.699","0.0003","25.3194","0.0007","90","","93.25","0.002","90","","1726.96","0.09","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.056","0.0438","","","0.1049","0.1129","","","","","","1.067","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158479","5.3533","0.0004","16.8012","0.0008","17.7277","0.0012","90","","90","","90","","1594.46","0.18","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","","Mahato, Shreya; Rawal, Parveen; Devadkar, Ajitrao Kisan; Joshi, Mayank; Roy Choudhury, Angshuman; Biswas, Bhaskar; Gupta, Puneet; Panda, Tarun K.","Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(II)-catalyst.","Organic & biomolecular chemistry","2022","20","5","1103","1111","10.1039/d1ob02339j","","x-ray","0.71073","MoKα","","0.1902","0.0698","","","0.1318","0.1852","","","","","","0.971","","","","has coordinates","272756","2022-02-04","20:00:16",""
"7158480","9.8554","0.0002","15.7898","0.0004","26.9608","0.0006","90","","90","","90","","4195.5","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 S -","- C22 H36 O4 S -","- C176 H288 O32 S8 -","8","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","1.54178","CuKα","","0.0526","0.0489","","","0.1318","0.139","","","","","","1.062","","","","has coordinates","272755","2022-02-04","19:59:48",""
"7158481","7.2736","0.0009","19.217","0.002","19.825","0.002","90","","91.946","0.005","90","","2769.5","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 O4 S Si -","- C28 H42 O4 S Si -","- C112 H168 O16 S4 Si4 -","4","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0841","0.0711","","","0.1814","0.1919","","","","","","1.099","","","","has coordinates,has disorder","272755","2022-02-04","19:59:51",""
"7158482","9.9546","0.0009","11.138","0.0011","24.037","0.002","93.903","0.004","95.575","0.004","90.203","0.004","2646.2","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C25 H42 O4 S Si -","- C25 H42 O4 S Si -","- C100 H168 O16 S4 Si4 -","4","4","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0455","0.0428","","","0.0988","0.1002","","","","","","1.115","","","","has coordinates","272755","2022-02-04","20:00:02",""
"7158483","8.1439","0.001","9.6588","0.0008","11.584","0.0013","92.542","0.008","98.729","0.01","97.055","0.009","891.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-methyl-6-oxo-N,1-diphenyl-1,6-dihydropyridine-3-carboxamide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Xu, Lichun; Ma, Zhongxiao; Hu, Xi; Zhang, Xin; Gao, Shulin; Liang, Deqiang; Wang, Baoling; Li, Weili; Li, Yanni","Electroreductive synthesis of polyfunctionalized pyridin-2-ones from acetoacetanilides and carbon disulfide with oxygen evolution.","Organic & biomolecular chemistry","2022","20","5","1013","1018","10.1039/d1ob02379a","","x-ray","1.54184","CuKα","","0.0516","0.0427","","","0.1144","0.1247","","","","","","1.031","","","","has coordinates","272753","2022-02-04","19:59:33",""
"7158484","6.55","0.017","12.76","0.03","13.5","0.03","97.07","0.03","97.8","0.03","98.64","0.03","1093","5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C56 H50 N6 O2 -","2","1","","Dhara, Samiran; Ghosh, Subhadeep; Das, Asish R.","An iron-catalyzed domino reaction of donor-acceptor cyclopropanes: a diastereoselective approach towards diversely functionalized pyrrolo-quinazolines.","Organic & biomolecular chemistry","2022","20","7","1415","1424","10.1039/d1ob02215f","","","0.71073","MoKα","","0.1615","0.0878","","","0.2003","0.2363","","","","","","0.875","","","","has coordinates","273425","2022-03-04","22:24:36",""
"7158485","10.3073","0.0018","18.584","0.003","14.516","0.002","90","","105.319","0.004","90","","2681.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl8 N4 O2 Zn2 -","- C52 H52 Cl8 N4 O2 Zn2 -","- C104 H104 Cl16 N8 O4 Zn4 -","2","0.5","","Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin","A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.","Organic & biomolecular chemistry","2022","20","6","1253","1259","10.1039/d1ob02420e","","","0.71073","MoKα","","0.0945","0.0457","","","0.089","0.1079","","","","","","1.005","","","","has coordinates","273421","2022-03-04","22:24:13",""
"7158486","5.0066","0.0004","12.2115","0.0007","18.0086","0.0015","90","","91.708","0.009","90","","1100.52","0.14","113.6","0.1","113.6","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl N4 S -","- C9 H11 Cl N4 S -","- C36 H44 Cl4 N16 S4 -","4","1","","Li, Xinjie; Qi, Peng; Du, Hongguang","Cross dehydrogenation coupling reaction of purine derivatives with thioethers.","Organic & biomolecular chemistry","2022","20","5","1058","1066","10.1039/d1ob02353e","","x-ray","0.71073","MoKα","","0.0424","0.0353","","","0.077","0.0822","","","","","","1.053","","","","has coordinates","272759","2022-02-04","20:00:42",""
"7158487","22.3405","0.0002","9.0682","0.0001","13.9052","0.0002","90","","127.433","0.001","90","","2236.9","0.05","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0631","0.0623","","","0.1692","0.1704","","","","","","1.015","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158488","9.3578","0.0003","11.4643","0.0003","23.4068","0.0007","90","","90","","90","","2511.1","0.13","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0486","0.0481","","","0.1319","0.1324","","","","","","1.048","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158489","8.0295","0.0005","8.2401","0.0007","13.3944","0.001","99.581","0.002","107.21","0.002","100.42","0.002","809.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C40 H26 Br2 N4 O2 -","2","1","","Rajput, Shruti; Kaur, Ramandeep; Jain, Nidhi","Pd and photoredox dual catalysis assisted decarboxylative <i>ortho</i>-benzoylation of <i>N</i>-phenyl-7-azaindoles.","Organic & biomolecular chemistry","2022","20","7","1453","1461","10.1039/d1ob02338a","","","0.71073","MoKα","","0.0694","0.0545","","","0.1433","0.1564","","","","","","1.077","","","","has coordinates","273423","2022-03-04","22:24:23",""
"7158490","7.8605","0.0005","11.7131","0.001","13.7225","0.0007","90","","94.58","0.005","90","","1259.41","0.15","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 F2 O4 -","- C31 H22 F2 O4 -","- C62 H44 F4 O8 -","2","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0627","0.0534","","","0.1404","0.1473","","","","","","1.011","","","","has coordinates","273420","2022-03-04","22:24:07",""
"7158491","5.9854","0.0001","20.6879","0.0004","18.0213","0.0003","90","","95.78","0.002","90","","2220.15","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C124 H84 N4 O8 -","4","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0425","0.0358","","","0.0895","0.0935","","","","","","1.067","","","","has coordinates","273420","2022-03-04","22:24:08",""
"7158492","12.0831","0.0002","9.0813","0.0002","18.423","0.0003","90","","102.333","0.002","90","","1974.91","0.06","109","2","109","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O2 -","- C23 H22 N4 O2 -","- C92 H88 N16 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0418","0.0366","","","0.0941","0.0974","","","","","","1.067","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158493","15.7052","0.0008","5.036","0.0002","13.3544","0.0006","90","","90.211","0.004","90","","1056.21","0.08","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0565","0.0544","","","0.1524","0.1545","","","","","","1.071","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158494","13.5402","0.0003","7.8769","0.0002","16.4206","0.0004","90","","105.285","0.002","90","","1689.38","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0473","0.0447","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158495","13.4032","0.0003","13.4811","0.0006","19.0017","0.0003","97.062","0.002","100.428","0.0018","115.9","0.003","2957.3","0.18","100.02","0.14","100.02","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Cl3 I4 N14 O4 -","- C45 H39 Cl3 I4 N14 O4 -","- C90 H78 Cl6 I8 N28 O8 -","2","1","","Zhao, Tian; Lynch, Vincent M.; Sessler, Jonathan L.","Tetradentate halogen bonding macrocyclic anion receptor inspired by the ""Texas-sized"" molecular box.","Organic & biomolecular chemistry","2022","20","5","980","983","10.1039/d1ob02381k","","x-ray","1.54184","CuKα","","0.0788","0.072","","","0.2102","0.225","","","","","","0.908","","","","has coordinates,has disorder","272758","2022-02-04","20:00:37",""
"7158496","9.8332","0.0017","13.452","0.002","16.081","0.003","90","","100.629","0.003","90","","2090.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O2 -","- C26 H19 N5 O2 -","- C104 H76 N20 O8 -","4","1","","Zhang, Xin-Ke; Miao, Xiao-Yu; Zhou, Yu; Wang, Yu-Mei; Song, Ying-Chun; Liu, Hang; Xiong, Yi-Lu; Li, Ling-Yu; Wu, An-Xin; Zhu, Yan-Ping","Iodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones <i>via</i> methyl azaarene sp<sup>3</sup> C-H functionalization.","Organic & biomolecular chemistry","2022","20","6","1236","1242","10.1039/d1ob02436a","","","0.71073","MoKα","","0.0643","0.0457","","","0.1333","0.1509","","","","","","1.01","","","","has coordinates","273422","2022-03-04","22:24:18",""
"7158497","8.5358","0.0004","9.3335","0.0003","20.6119","0.0009","95.328","0.003","91.723","0.004","90.573","0.003","1634.16","0.12","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","2","","Wang, Chunlian; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Copper-catalyzed three-component <i>N</i>-alkylation of quinazolinones and azoles.","Organic & biomolecular chemistry","2022","20","6","1200","1204","10.1039/d1ob02333k","","x-ray","1.54184","CuKα","","0.0629","0.0461","","","0.1117","0.1219","","","","","","1.037","","","","has coordinates","273418","2022-03-04","22:23:55",""
"7158498","5.7949","0.0004","15.4144","0.0012","21.1109","0.0017","90","","90","","90","","1885.7","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F2 O S -","- C24 H18 F2 O S -","- C96 H72 F8 O4 S4 -","4","1","","Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle","Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.","Organic & biomolecular chemistry","2022","20","7","1500","1509","10.1039/d1ob02268g","","","0.71073","MoKα","","0.0777","0.0532","","","0.1108","0.1295","","","","","","1.095","","","","has coordinates","273426","2022-03-04","22:24:41",""
"7158499","31.87","0.03","5.876","0.008","8.328","0.008","90","","90","","90","","1560","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(Z)-4-fluoro-2-isobutyl-5-phtalimidopent-3-en-1-oic acid","","- C17 H18 F N O4 -","- C17 H18 F N O4 -","- C68 H72 F4 N4 O16 -","4","1","","Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry","Convergent access to mono-fluoroalkene-based peptidomimetics.","Organic & biomolecular chemistry","2022","20","6","1205","1218","10.1039/d1ob02441h","","","0.71073","MoKα","","0.0358","0.0323","","","0.0767","0.0781","","","","","","1.037","","","","has coordinates","273417","2022-03-04","22:23:49",""
"7158500","11.0002","0.0005","12.8129","0.0005","14.2811","0.0006","93.8303","0.0014","97.7328","0.0014","110.112","0.0013","1859.03","0.14","297","2","297","2","","","","","","","","7","P -1","-P 1","2","SCM2105","","","- C36 H52 Cl3 N2 O P Pd -","- C36 H52 Cl3 N2 O P Pd -","- C72 H104 Cl6 N4 O2 P2 Pd2 -","2","1","","Ng, Shan Shan; Chen, Zicong; Yuen, On Ying; So, Chau Ming","An indole-amide-based phosphine ligand enabling a general palladium-catalyzed sterically hindered Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2022","20","7","1373","1378","10.1039/d1ob02294f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0647","0.0663","","","","","","1.05","","","","has coordinates","273428","2022-03-04","22:24:52",""
"7158501","7.6358","0.0009","9.0784","0.0011","9.7663","0.0013","109.932","0.003","107.117","0.003","92.339","0.003","600.71","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","deoxytoddaquinoline","6-methyl-6,7-dihydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]pyrido[2,3-e]azepine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","0.71073","MoKα","","0.0625","0.0445","","","0.113","0.1244","","","","","","1.022","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158502","9.9992","0.0005","11.29","0.0005","12.2822","0.0006","90","","105.733","0.002","90","","1334.6","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 6-methyl-6,7-dihydro-5H-benzo[c]pyrido[2,3-e]azepine-10-carboxylate","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","1.54178","CuKα","","0.034","0.0325","","","0.0817","0.083","","","","","","1.043","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158503","8.2614","0.0003","13.2824","0.0005","8.9573","0.0003","90","","110.019","0.001","90","","923.51","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao","A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.","Organic & biomolecular chemistry","2022","20","8","1642","1646","10.1039/d1ob02440j","","","0.71073","MoKα","","0.046","0.0378","","","0.0959","0.1035","","","","","","1.032","","","","has coordinates","273414","2022-03-04","22:23:17",""
"7158504","32.7473","0.0004","32.7473","0.0004","9.7272","0.0001","90","","90","","120","","9033.78","0.18","170","2","170.04","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H23 F3 N2 O -","- C22 H23 F3 N2 O -","- C396 H414 F54 N36 O18 -","18","1","","Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He","Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water.","Organic & biomolecular chemistry","2022","20","7","1386","1390","10.1039/d1ob02335g","","","1.34139","GaKα","","0.0409","0.0336","","","0.0729","0.0771","","","","","","1.106","","","","has coordinates","273429","2022-03-04","22:24:59",""
"7158505","9.4321","0.0003","14.6668","0.0005","17.7584","0.0006","90","","90","","90","","2456.67","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O2 S -","- C27 H30 N2 O2 S -","- C108 H120 N8 O8 S4 -","4","1","","Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya","Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.","Organic & biomolecular chemistry","2022","20","9","1916","1925","10.1039/d1ob02281d","","","0.71073","MoKα","","0.0393","0.0338","","","0.0831","0.0871","","","","","","1.065","","","","has coordinates","273434","2022-03-04","22:25:58",""
"7158506","30.736","0.008","9.788","0.002","32.682","0.008","90","","107.241","0.003","90","","9390","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H18 N2 O5 S2 -","- C81 H18 N2 O5 S2 -","- C648 H144 N16 O40 S16 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","Hydrogenation of cage-opened C<sub>60</sub> derivatives mediated by frustrated Lewis pairs.","Organic & biomolecular chemistry","2022","20","5","1000","1003","10.1039/d1ob02316k","","","0.71073","MoKα","","0.198","0.1154","","","0.2766","0.297","","","","","","1.084","","","","has coordinates","272441","2022-02-03","01:30:52",""
"7158507","12.0239","0.001","14.1732","0.0012","17.0536","0.0015","107.498","0.008","103.65","0.007","107.038","0.008","2477.1","0.5","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","2,6-dimesityl-1-methyl-4-phenyl-1,4-dihydropyridine","","- C30 H33 N -","- C30 H33 N -","- C120 H132 N4 -","4","2","","Hirao, Yasukazu; Eto, Hajime; Teraoka, Mitsuru; Kubo, Takashi","A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions.","Organic & biomolecular chemistry","2022","20","8","1671","1679","10.1039/d1ob02358f","","","0.71075","MoKα","","0.1359","0.0688","","","0.1544","0.1831","","","","","","1.019","","","","has coordinates","273413","2022-03-04","22:23:11",""
"7158508","10.1981","0.0007","13.4643","0.0005","11.1726","0.0008","90","","116.517","0.009","90","","1372.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O2 S -","- C14 H17 N3 O2 S -","- C56 H68 N12 O8 S4 -","4","1","","Chen, Jiewen; Tian, Jinhong; Wen, Kangmei; Gao, Qiwen; Shi, Jie; Yao, Xingang; Wu, Ting; Tang, Xiaodong","A new method for C(sp<sup>2</sup>)-H sulfonylmethylation with glyoxylic acid and sodium sulfinates.","Organic & biomolecular chemistry","2022","20","8","1652","1655","10.1039/d2ob00029f","","x-ray","0.71073","MoKα","","0.0556","0.0477","","","0.1263","0.1336","","","","","","1.068","","","","has coordinates","273409","2022-03-04","22:22:41",""
"7158509","10.8331","0.0004","24.5894","0.001","13.8643","0.0005","90","","107.06","0.001","90","","3530.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H45 N O3 Si -","- C41 H45 N O3 Si -","- C164 H180 N4 O12 Si4 -","4","2","","He, Xuefeng; Buchotte, Marie; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","A case study of the MAC (masked acyl cyanide) oxyhomologation of <i>N</i>,<i>N</i>-dibenzyl-L-phenylalaninal with <i>anti</i> diastereoselectivity: preparation of (2<i>S</i>,3<i>S</i>)-allophenylnorstatin esters.","Organic & biomolecular chemistry","2022","20","8","1769","1781","10.1039/d1ob02411f","","x-ray","1.54178","CuKα","","0.0318","0.0308","","","0.0787","0.0793","","","","","","1.024","","","","has coordinates","273415","2022-03-04","22:23:24",""
"7158510","9.8259","0.0003","9.8256","0.0002","10.8672","0.0003","97.864","0.002","108.797","0.002","103.162","0.002","941.65","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Zhang, Yaohong; Luo, Mengqiang; Zhang, Yichan; Cheng, Kai; Li, Yong; Qi, Chenze; Shen, Runpu; Wang, Hai","CuCl<sub>2</sub>·2H<sub>2</sub>O/TBHP mediated synthesis of β-enaminones <i>via</i> coupling reaction of vinyl azides with aldehydes.","Organic & biomolecular chemistry","2022","20","9","1952","1957","10.1039/d1ob02479e","","","1.54178","CuKα","","0.1044","0.0597","","","0.2185","0.2913","","","","","","1.383","","","","has coordinates","273431","2022-03-04","22:25:26",""
"7158511","19.5352","0.0005","14.0585","0.0004","13.9778","0.0005","90","","90","","90","","3838.8","0.2","295.48","0.1","295.48","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 Br N3 O -","- C20 H14 Br N3 O -","- C160 H112 Br8 N24 O8 -","8","1","","Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa","Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.","Organic & biomolecular chemistry","2022","20","10","2069","2074","10.1039/d1ob02492b","","x-ray","1.54184","CuKα","","0.0659","0.0606","","","0.1691","0.1719","","","","","","1.123","","","","has coordinates","275049","2022-05-05","20:52:51",""
"7158512","8.25955","0.00008","10.43795","0.00009","22.5124","0.0002","90","","90","","90","","1940.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang","Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.","Organic & biomolecular chemistry","2022","20","8","1647","1651","10.1039/d1ob02393d","","","1.3415","GaKα","","0.0222","0.0221","","","0.0611","0.0611","","","","","","1.048","","","","has coordinates","273410","2022-03-04","22:22:46",""
"7158513","7.1439","0.0014","10.734","0.002","14.451","0.003","72.259","0.009","81.41","0.009","72.811","0.01","1006.2","0.4","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F N O4 S -","- C24 H18 F N O4 S -","- C48 H36 F2 N2 O8 S2 -","2","1","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.0337","0.0322","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158514","11.849","0.004","8.586","0.003","12.73","0.005","90","","94.872","0.014","90","","1290.4","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","2","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.082","0.0791","","","0.1732","0.1783","","","","","","1.086","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158515","9.4606","0.0005","15.2394","0.0008","13.4503","0.0008","90","","108.685","0.003","90","","1836.98","0.18","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C80 H80 Cl4 N4 O8 S4 -","4","1","","Wang, Jiateng; Zhuang, Yunqing; Zhao, Jie; Bi, Yusong; Li, Chunyan; Bi, Gehua; Yang, Kai; Huang, Xin; Zhang, Weimin","Copper-catalyzed direct sulfenoamination of saturated ketones <i>via in situ</i> formed enaminones.","Organic & biomolecular chemistry","2022","20","8","1749","1753","10.1039/d1ob02469h","","","1.34139","GaKα","","0.0706","0.0449","","","0.1114","0.1212","","","","","","1.123","","","","has coordinates","273411","2022-03-04","22:22:51",""
"7158516","16.23","0.0009","6.6999","0.0004","19.3383","0.0011","90","","98.587","0.003","90","","2079.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.6 H3.4 Cl0 N0.6 O0.3 S0.2 -","- C4.6 H3.4 N0.6 O0.3 S0.2 -","- C92 H68 N12 O6 S4 -","20","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0968","0.0811","","","0.2446","0.2644","","","","","","1.195","","","","has coordinates","273432","2022-03-04","22:25:36",""
"7158517","26.8368","0.0006","8.8018","0.0002","12.945","0.0003","90","","90","","90","","3057.77","0.12","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C144 H112 N16 O16 S8 -","40","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0535","0.0414","","","0.0959","0.1079","","","","","","1.104","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158518","12.5624","0.0003","11.3761","0.0002","10.369","0.0002","90","","99.523","0.001","90","","1461.42","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.58 H3.58 N0.21 O0.42 S0.21 -","- C3.57895 H3.57895 N0.210526 O0.421053 S0.210526 -","- C68 H68 N4 O8 S4 -","19","4.75","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0569","0.0457","","","0.1209","0.1356","","","","","","1.067","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158519","6.5115","0.0013","10.484","0.002","20.277","0.004","90","","94.411","0.011","90","","1380.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.56 H3.33 N0.22 O0.44 S0.22 -","- C3.55556 H3.33333 N0.222222 O0.444444 S0.222222 -","- C64 H60 N4 O8 S4 -","18","4.5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0619","0.0479","","","0.1027","0.1113","","","","","","1.121","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158520","8.2185","0.0006","15.6692","0.0011","16.9546","0.0013","90","","92.798","0.004","90","","2180.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.43 H2.29 N0.29 O0.71 S0.14 -","- C3.42857 H2.28571 N0.285714 O0.714286 S0.142857 -","- C96 H64 N8 O20 S4 -","28","7","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.1065","0.0899","","","0.2813","0.3095","","","","","","1.129","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158522","5.457","0.002","10.698","0.005","21.399","0.009","90","","90","","90","","1249.3","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 S -","- C10 H16 O5 S -","- C40 H64 O20 S4 -","4","1","","Chen, Wei-Li; Liu, Zhang-Wei; Wang, Ying-Chun; Ma, Xiao-Pan; Mo, Dong-Liang","MnSO<sub>4</sub>-promoted S-O bond cleavage for synthesizing functionalized sulfonium ylides from activated alkynes and sulfoxides.","Organic & biomolecular chemistry","2022","20","8","1656","1661","10.1039/d1ob02491d","","","0.71073","MoKα","","0.0434","0.0421","","","0.1014","0.1026","","","","","","1.225","","","","has coordinates","273412","2022-03-04","22:22:59",""
"7158523","9.1754","0.0003","19.184","0.0006","13.4902","0.0004","90","","100.044","0.0018","90","","2338.17","0.13","174.1","","174","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.0567","","","","0.0745","","","","","","1.209","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158524","7.7233","0.0008","23.323","0.002","30.276","0.003","90","","90","","90","","5453.6","0.9","293.1","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C224 H256 N16 O56 -","8","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.1747","","","","0.2345","","","","","","1.067","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158525","14.8186","0.0004","6.1275","0.0002","17.0159","0.0004","90","","103.869","0.003","90","","1500.02","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0443","0.041","","","0.1022","0.1045","","","","","","1.037","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158526","8.9657","0.0002","13.2198","0.0002","18.8147","0.0003","90","","90","","90","","2230.01","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0331","0.0299","","","0.0978","0.0989","","","","","","1.296","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158527","9.97027","0.00008","13.27902","0.0001","20.904","0.0002","90","","90","","90","","2767.59","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O8 -","- C29 H44 O8 -","- C116 H176 O32 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0279","0.0271","","","0.069","0.0697","","","","","","1.044","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158528","7.4781","0.0004","12.81","0.0008","25.4104","0.0014","90","","90","","90","","2434.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 O6 -","- C25 H46 O6 -","- C100 H184 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0453","0.0427","","","0.1128","0.1149","","","","","","1.095","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158529","20.4236","0.0003","11.2645","0.0002","10.8753","0.0002","90","","90","","90","","2501.99","0.07","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0407","0.0396","","","0.1052","0.1065","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158530","8.31799","0.00011","10.12992","0.00017","28.0673","0.0004","90","","90","","90","","2364.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24.19 H42.38 O7 -","- C24.191 H42.382 O7 -","- C96.764 H169.528 O28 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0378","0.0369","","","0.0966","0.0975","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158531","32.26794","0.00016","32.26794","0.00016","6.19392","0.00004","90","","90","","120","","5585.2","0.05","120","2","120","2","","","","","","","","3","P 65","P 65","170","","","","- C25 H42 O4 -","- C25 H42 O4 -","- C150 H252 O24 -","6","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0631","0.0634","","","","","","1.047","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158532","9.0368","0.0004","9.7879","0.0005","12.8089","0.0006","72.001","0.002","83.06","0.002","79.877","0.002","1058.06","0.09","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","P1","","- C22 H15 Br F3 N O2 S Se -","- C22 H15 Br F3 N O2 S Se -","- C44 H30 Br2 F6 N2 O4 S2 Se2 -","2","1","","Wang, Hui; Yao, Yunfei; You, Yi; Huang, Yangjie; Weng, Zhiqiang","An aerobic copper-mediated domino process for the synthesis of 3-(trifluoromethylseleno)indoles.","Organic & biomolecular chemistry","2022","20","10","2115","2120","10.1039/d2ob00063f","","","1.54178","CuKα","","0.0258","0.0248","","","0.0621","0.0627","","","","","","1.09","","","","has coordinates","275050","2022-05-05","20:52:57",""
"7158576","5.5942","0.0003","10.5681","0.0006","11.9447","0.0006","102.226","0.002","92.692","0.002","90.534","0.002","689.26","0.06","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0972","0.0745","","","0.1827","0.1981","","","","","","1.14","","","","has coordinates","275825","2022-06-06","02:05:12",""
"7158577","10.4584","0.0004","3.9248","0.0002","31.2078","0.0013","90","","95.455","0.004","90","","1275.19","0.1","298","0.7","298","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.0738","0.0493","","","0.1259","0.1474","","","","","","1.026","","","","has coordinates","275825","2022-06-06","02:05:23",""
"7158578","5.442","0.0005","10.6713","0.0015","12.7912","0.0018","71.516","0.013","87.083","0.009","75.865","0.01","682.89","0.16","295","1","295","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C36 H28 O8 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.1291","0.0775","","","0.1854","0.229","","","","","","1.03","","","","has coordinates","275825","2022-06-06","02:05:26",""
"7158579","12.3812","0.0007","5.5547","0.0003","18.6375","0.001","90","","94.036","0.002","90","","1278.59","0.12","300","2","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0887","0.0829","","","0.1912","0.1975","","","","","","1.287","","","","has coordinates","275825","2022-06-06","02:05:29",""
"7158582","14.998","0.0006","12.8933","0.0005","21.1475","0.0011","90","","90","","90","","4089.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Cl N O6 -","- C23 H22 Cl N O6 -","- C184 H176 Cl8 N8 O48 -","8","1","","Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng","Diastereoselective construction of tetracyclic chromanes <i>via</i> a triply annulative strategy.","Organic & biomolecular chemistry","2022","20","16","3342","3347","10.1039/d2ob00326k","","x-ray","0.71073","MoKα","","0.0502","0.0389","","","0.083","0.0903","","","","","","1.057","","","","has coordinates","275064","2022-05-05","20:55:15",""
"7158590","12.9731","0.0006","15.1155","0.0006","13.3582","0.0006","90","","94.384","0.002","90","","2611.8","0.2","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl N2 O3 S -","- C30 H23 Cl N2 O3 S -","- C120 H92 Cl4 N8 O12 S4 -","4","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.1145","0.0518","","","0.1069","0.1301","","","","","","1.013","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158591","21.023","0.003","12.4076","0.0016","18.781","0.003","90","","90","","90","","4898.9","1.2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C240 H176 N16 O24 S8 -","8","2","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0583","0.0422","","","0.0929","0.1018","","","","","","1.017","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158592","11.4722","0.0009","11.6024","0.0009","11.81","0.0011","112.336","0.003","91.537","0.003","112.501","0.003","1315.8","0.2","185","2","185","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O3 S2 -","- C28 H20 N2 O3 S2 -","- C56 H40 N4 O6 S4 -","2","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0841","0.0503","","","0.1188","0.1357","","","","","","1.028","","","","has coordinates,has disorder","275057","2022-05-05","20:54:17",""
"7158594","8.1282","0.0003","13.2665","0.0006","14.8538","0.0008","111.379","0.005","101.712","0.004","94.591","0.003","1439.47","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O -","- C16 H14 F3 N3 O -","- C64 H56 F12 N12 O4 -","4","2","","Lan, Jianyong; Li, Shaoyun; Lin, Kejun; Zhou, Peng; Chen, Weili; Gao, Liqian; Zhu, Tingshun","The eco-friendly electrosynthesis of trifluoromethylated spirocyclic indolines and their anticancer activity.","Organic & biomolecular chemistry","2022","20","17","3475","3479","10.1039/d2ob00459c","","x-ray","1.54184","CuKα","","0.0624","0.05","","","0.1358","0.1493","","","","","","1.051","","","","has coordinates","275051","2022-05-05","20:53:21",""
"7158595","6.7215","0.0002","18.6021","0.0005","20.0805","0.0005","90","","90","","90","","2510.75","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O5 S2 -","- C28 H24 F N O5 S2 -","- C112 H96 F4 N4 O20 S8 -","4","1","","Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin","α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.","Organic & biomolecular chemistry","2022","20","16","3263","3267","10.1039/d2ob00498d","","","0.71073","MoKα","","0.0399","0.0342","","","0.0794","0.082","","","","","","1.13","","","","has coordinates","275063","2022-05-05","20:55:09",""
"7158596","9.4017","0.0003","18.1121","0.0005","18.3977","0.0005","90","","90","","90","","3132.84","0.16","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H24 Br N3 O7 -","- C30 H24 Br N3 O7 -","- C120 H96 Br4 N12 O28 -","4","1","","Gu, Congzheng; Tian, Guangzheng; Yin, Qingyu; Wu, Fan; Li, Zhiming; Wu, Xiaoyu","Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters.","Organic & biomolecular chemistry","2022","20","16","3323","3334","10.1039/d2ob00309k","","","1.54178","CuKα","","0.0606","0.06","","","0.1568","0.1578","","","","","","1.127","","","","has coordinates","275065","2022-05-05","20:55:21",""
"7158611","5.7351","0.0001","41.9722","0.0012","8.3858","0.0002","90","","107.644","0.001","90","","1923.63","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Hsu, Yin-Yin; Luo, Sheng-Qi; Hong, Bor-Cherng; Chien, Su-Ying","A mild one-pot transformation of nitroalkanes to ketones or aldehydes <i>via</i> a visible-light photocatalysis-hydrolysis sequence.","Organic & biomolecular chemistry","2022","20","16","3292","3302","10.1039/d2ob00267a","","","0.71073","MoKα","","0.0602","0.0502","","","0.1197","0.125","","","","","","1.07","","","","has coordinates","275060","2022-05-05","20:54:51",""
"7158612","7.147","0.006","11.942","0.01","12.279","0.013","61.56","0.03","87.07","0.03","75.58","0.03","889.7","1.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","8-(5-Fluoro-2-hydroxybenzoyl)-6-phenyl-11H-pyrido[2,1-b]quinazolin-11-one","","- C25 H15 F N2 O3 -","- C25 H15 F N2 O3 -","- C50 H30 F2 N4 O6 -","2","1","","Yun, Ei Seul; Akhtar, Muhammad Saeed; Mohandoss, Sonaimuthu; Lee, Yong Rok","Microwave-assisted annulation for the construction of pyrido-fused heterocycles and their application as photoluminescent chemosensors.","Organic & biomolecular chemistry","2022","20","16","3397","3407","10.1039/d2ob00257d","","","0.71073","MoKα","","0.0793","0.058","","","0.1509","0.1696","","","","","","1.032","","","","has coordinates","275059","2022-05-05","20:54:44",""
"7158616","8.1305","0.0007","9.2545","0.0008","14.7289","0.0013","96.831","0.003","98.583","0.003","104.865","0.003","1044.74","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl Cu N5 O2 -","- C25 H16 Cl Cu N5 O2 -","- C50 H32 Cl2 Cu2 N10 O4 -","2","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0828","0.0785","","","0.2316","0.2338","","","","","","1.133","","","","has coordinates","275056","2022-05-05","20:54:09",""
"7158617","10.881","0.002","10.233","0.002","11.017","0.002","90","","108.43","0.03","90","","1163.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0776","0.0565","","","0.1555","0.1735","","","","","","1.048","","","","has coordinates,has disorder","275056","2022-05-05","20:54:09",""
"7158618","8.8732","0.0003","23.4482","0.0005","10.733","0.0003","90","","109.856","0.003","90","","2100.35","0.11","99.99","0.13","99.99","0.13","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H23 B Cl3 N O3 -","- C17 H23 B Cl3 N O3 -","- C68 H92 B4 Cl12 N4 O12 -","4","1","","Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L.","Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters.","Organic & biomolecular chemistry","2022","20","16","3287","3291","10.1039/d2ob00423b","","x-ray","1.54184","CuKα","","0.0557","0.0535","","","0.1462","0.1481","","","","","","1.148","","","","has coordinates","275066","2022-05-05","20:55:26",""
"7158619","10.537","0.006","10.802","0.006","15.329","0.008","90","","94.978","0.015","90","","1738.2","1.7","303","2","302.81","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.1727","0.0933","","","0.1758","0.2079","","","","","","1.045","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158620","10.7002","0.0011","6.0652","0.0007","11.85","0.0012","90","","99.659","0.003","90","","758.15","0.14","126","2","126.44","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H25 N O5 -","- C13 H25 N O5 -","- C26 H50 N2 O10 -","2","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.054","0.0525","","","0.1359","0.1366","","","","","","1.157","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158621","5.466","0.0012","10.025","0.002","15.193","0.004","90","","90","","90","","832.5","0.3","146.15","","146.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.0505","0.0419","","","0.0963","0.1026","","","","","","1.079","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158624","13.1462","0.0013","8.7576","0.0007","25.691","0.002","90","","102.499","0.009","90","","2887.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 B N5 O0.5 -","- C13 H17 B N5 O0.5 -","- C104 H136 B8 N40 O4 -","8","1","","Zhang, Yifei; Liao, Yangzhen; Liu, Peijun; Ran, Yu; Liu, Xiaozu","Radical borylation of vinyl azides with NHC-boranes: divergent synthesis of α-boryl ketones and borylated triazoles.","Organic & biomolecular chemistry","2022","20","17","3550","3557","10.1039/d2ob00076h","","x-ray","0.71073","MoKα","","0.0582","0.0466","","","0.1073","0.1147","","","","","","1.06","","","","has coordinates","275052","2022-05-05","20:53:27",""
"7158625","10.4688","0.0001","15.0424","0.0001","14.4588","0.0001","90","","104.344","0.001","90","","2205.93","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H17 Cl I N O2 -","- C25.5 H17 Cl I N O2 -","- C102 H68 Cl4 I4 N4 O8 -","4","2","","Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng","Organocatalytic enantioselective construction of axially chiral (1<i>H</i>)-isochromen-1-imines.","Organic & biomolecular chemistry","2022","20","16","3277","3282","10.1039/d2ob00379a","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0663","0.0698","","","","","","1.095","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7158626","8.346","0.004","12.269","0.006","14.899","0.007","92.2","0.007","101.408","0.007","92.387","0.007","1492.5","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cl2 N4 O5 -","- C36 H22 Cl2 N4 O5 -","- C72 H44 Cl4 N8 O10 -","2","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.057","0.0431","","","0.1278","0.16","","","","","","1.011","","","","has coordinates","274412","2022-04-07","00:34:55",""
"7158627","13.543","0.003","10.328","0.002","22.564","0.005","90","","100.723","0.004","90","","3101","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br N4 O5 -","- C36 H23 Br N4 O5 -","- C144 H92 Br4 N16 O20 -","4","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0991","0.0509","","","0.1373","0.1749","","","","","","1.044","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158628","11.6817","0.0008","7.6497","0.0006","23.7774","0.0016","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0358","0.031","","","0.1088","0.1199","","","","","","0.936","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158630","23.784","0.003","18.643","0.002","7.321","0.0009","90","","90.762","0.003","90","","3245.9","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 F3 N2 O5 -","- C35 H26 Cl3 F3 N2 O5 -","- C140 H104 Cl12 F12 N8 O20 -","4","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2177","0.0888","","","0.1412","0.1706","","","","","","1.142","","","","has coordinates,has disorder","275053","2022-05-05","20:53:35",""
"7158631","15.582","0.003","12.447","0.003","22.472","0.005","90","","90","","90","","4358.4","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F3 N6 O2 -","- C24 H13 F3 N6 O2 -","- C192 H104 F24 N48 O16 -","8","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2218","0.1079","","","0.223","0.2615","","","","","","1.098","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158632","28.4017","0.0014","10.6516","0.0005","14.9143","0.0008","90","","116.751","0.002","90","","4029","0.4","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H15 F3 N2 O4 -","- C22 H15 F3 N2 O4 -","- C176 H120 F24 N16 O32 -","8","2","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.0421","0.0376","","","0.0983","0.1007","","","","","","1.048","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158636","20.3525","0.0018","5.1265","0.0006","23.391","0.002","90","","111.209","0.004","90","","2275.2","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 F N2 O4 S -","- C8 H11 F N2 O4 S -","- C64 H88 F8 N16 O32 S8 -","8","1","","Yang, Wen-Fei; Shu, Tao; Chen, Hong-Ru; Qin, Hua-Li; Tang, Haolin","A cascade reaction for regioselective construction of pyrazole-containing aliphatic sulfonyl fluorides.","Organic & biomolecular chemistry","2022","20","17","3506","3510","10.1039/d2ob00515h","","","0.71073","MoKα","","0.126","0.074","","","0.1857","0.2077","","","","","","1.015","","","","has coordinates","275054","2022-05-05","20:53:42",""
"7158637","9.3467","0.001","15.2593","0.0017","16.6257","0.0018","66.179","0.007","79.925","0.008","88.526","0.009","2133.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N O4 -","- C27 H18 N O4 -","- C108 H72 N4 O16 -","4","2","","Tan Uygun, Meltem; Menges, Nurettin","Synthesis of spiroindolenine-cyclopentenedione skeletons and their chemical behaviours: the first example of a lactone-type spiroindolenine structure.","Organic & biomolecular chemistry","2022","20","20","4161","4166","10.1039/d2ob00396a","","","0.71073","MoKα","","0.1897","0.0946","","","0.2608","0.3321","","","","","","1.075","","","","has coordinates","275828","2022-06-06","02:06:21",""
"7158640","6.554","0.0006","12.6859","0.0012","23.2169","0.0021","90","","97.357","0.004","90","","1914.4","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(adamantan-1-yl)pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0418","0.0385","","","0.0942","0.0969","","","","","","1.035","","","","has coordinates","275058","2022-05-05","20:54:32",""
"7158641","7.7193","0.0002","19.0741","0.0006","10.7854","0.0003","90","","103.055","0.001","90","","1546.98","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-cyclohexylpyrazino[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C19 H19 N5 -","- C19 H19 N5 -","- C76 H76 N20 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0346","0.034","","","0.0848","0.0852","","","","","","1.03","","","","has coordinates","275058","2022-05-05","20:54:34",""
"7158642","10.3432","0.001","11.855","0.009","12.43","0.009","79.657","0.015","66.16","0.02","74.86","0.04","1341","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N3 O3 -","- C34 H28 N3 O3 -","- C68 H56 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.2444","0.1549","","","0.2141","0.2436","","","","","","1.17","","","","has coordinates","275821","2022-06-06","02:03:36",""
"7158643","15.4317","0.001","13.3076","0.0008","15.3933","0.0011","90","","109.518","0.003","90","","2979.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N3 O4 -","- C37 H35 N3 O4 -","- C148 H140 N12 O16 -","4","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.107","0.0763","","","0.1812","0.2081","","","","","","1.003","","","","has coordinates","275821","2022-06-06","02:03:39",""
"7158644","8.9864","0.0005","9.7311","0.0005","18.0784","0.0009","78.844","0.004","81.754","0.004","75.67","0.004","1495.17","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C74 H66 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","1.54178","CuKα","","0.0635","0.0583","","","0.1712","0.1763","","","","","","1.007","","","","has coordinates","275821","2022-06-06","02:03:49",""
"7158649","7.1151","0.0001","8.4448","0.0001","21.3264","0.0002","90","","90","","90","","1281.41","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1,2,2-tetramethyl-cyclobuta-quinolin-3(1H)-one","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Takagi, Ryukichi; Tanimoto, Takaaki","Enantioselective [2 + 2] photocycloaddition of quinolone using a <i>C</i><sub>1</sub>-symmetric chiral phosphoric acid as a visible-light photocatalyst.","Organic & biomolecular chemistry","2022","20","19","3940","3947","10.1039/d2ob00607c","","x-ray","1.54184","CuKα","","0.0304","0.0295","","","0.0765","0.0773","","","","","","1.02","","","","has coordinates","275820","2022-06-06","02:03:25",""
"7158650","20.4662","0.0003","20.4662","0.0003","5.0315","0.0001","90","","90","","90","","2107.52","0.06","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C21 H26 Co N2 O5 -","- C21 H26 Co N2 O5 -","- C84 H104 Co4 N8 O20 -","4","0.5","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","1.54184","CuKα","","0.0475","0.0393","","","0.0989","0.1077","","","","","","1.069","","","","has coordinates","275822","2022-06-06","02:04:06",""
"7158651","8.7844","0.0001","10.2193","0.0001","18.8935","0.0002","75.495","0.001","84.894","0.001","88.497","0.001","1635.49","0.03","99.96","0.02","99.96","0.02","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","2","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","Synchrotron","","0.1028","0.0673","","","0.1844","0.212","","","","","","1.053","","","","has coordinates","275822","2022-06-06","02:04:16",""
"7158652","8.3632","0.0001","10.7798","0.0001","12.6342","0.0002","67.34","0.001","80.523","0.001","88.594","0.001","1035.8","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0492","0.0408","","","0.1172","0.1223","","","","","","1.041","","","","has coordinates,has disorder","275822","2022-06-06","02:04:19",""
"7158653","7.9465","0.0001","26.3631","0.0003","11.4522","0.0002","90","","92.613","0.001","90","","2396.68","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Co N2 O6 -","- C26 H31 Co N2 O6 -","- C104 H124 Co4 N8 O24 -","4","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0942","0.0503","","","0.112","0.1269","","","","","","1.03","","","","has coordinates","275822","2022-06-06","02:04:25",""
"7158654","19.378","0.002","4.9594","0.0002","18.3832","0.0015","90","","116.058","0.012","90","","1587.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71073","MoKα","K-L~3~","0.0878","0.0542","","","0.1249","0.1447","","","","","","1.038","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158655","7.2068","0.0002","15.1888","0.0003","15.2406","0.0002","74.263","0.002","85.817","0.002","76.699","0.002","1562.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N3 O3 S -","- C16 H19 N3 O3 S -","- C64 H76 N12 O12 S4 -","4","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0377","0.0362","","","0.1028","0.1054","","","","","","1.123","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158656","7.1082","0.0001","14.5273","0.0002","31.578","0.0005","90","","90","","90","","3260.84","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.0533","","","0.1274","0.1309","","","","","","1.086","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158657","31.8053","0.0005","14.6164","0.0003","7.2574","0.0001","90","","90","","90","","3373.81","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H19 Cl N4 O3 -","- C17 H19 Cl N4 O3 -","- C136 H152 Cl8 N32 O24 -","8","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","K-L~3~","0.0419","0.034","","","0.086","0.0895","","","","","","1.026","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158658","13.0873","0.0002","12.461","0.0002","14.1989","0.0002","90","","95.111","0.002","90","","2306.36","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O4 -","- C26 H31 N3 O4 -","- C104 H124 N12 O16 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","","0.0597","0.0496","","","0.133","0.139","","","","","","1.026","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158659","14.5932","0.0001","7.2583","0.0001","31.5918","0.0004","90","","102.749","0.001","90","","3263.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F N4 O3 -","- C17 H19 F N4 O3 -","- C136 H152 F8 N32 O24 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0424","","","0.1036","0.1054","","","","","","1.117","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158661","16.161","0.003","11.81","0.002","18.957","0.003","90","","100.689","0.003","90","","3555.4","1.1","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(4-(3,3-dicyano-1-(1H-indol-1-yl)allylidene)cyclohexa-2,5-dien-1-ylidene)malononitrile","MJ 2-12-1","","- C22 H11 N5 -","- C22 H11 N5 -","- C176 H88 N40 -","8","1","","Huang, Shuangping; Ma, Jing; Yi, Yikun; Li, Mingtao; Cai, Ping; Wu, Na","Synthesis of orthogonal push-pull chromophores <i>via</i> click reaction of arylynamines.","Organic & biomolecular chemistry","2022","20","20","4081","4085","10.1039/d2ob00677d","","","0.71073","MoKα","","0.0778","0.0532","","","0.1293","0.1459","","","","","","0.946","","","","has coordinates","275831","2022-06-06","02:06:40",""
"7158662","15.5676","0.0005","13.8531","0.0003","26.8877","0.001","90","","99.841","0.003","90","","5713.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","1","","Zhou, Tingting; Zheng, Anquan; Zhang, Wenge; Lu, Xiuxiang; Chen, Huiyu; Tan, Haibo","Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations.","Organic & biomolecular chemistry","2022","20","20","4096","4100","10.1039/d2ob00634k","","x-ray","1.54184","CuKα","","0.0845","0.061","","","0.149","0.1618","","","","","","1.057","","","","has coordinates,has disorder","275830","2022-06-06","02:06:34",""
"7158663","9.581","0.001","11.381","0.001","10.941","0.001","90","","103.15","0.02","90","","1161.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Iodine-TBHP mediated efficient synthesis of α-ketoamides from vinyl azides and amines under mild conditions.","Organic & biomolecular chemistry","2022","20","19","3907","3912","10.1039/d2ob00458e","","","0.71073","MoKα","","0.069","0.051","","","0.1508","0.1715","","","","","","0.955","","","","has coordinates","275824","2022-06-06","02:04:51",""
"7158666","7.6918","0.0002","7.7847","0.0002","13.7184","0.0003","90.026","0.002","97.054","0.002","114.557","0.003","740.27","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C38 H28 N4 O2 S2 -","2","1","","Meena, Neha; Dhiman, Shiv; Rangan, Krishnan; Kumar, Anil","Cobalt-catalyzed tandem one-pot synthesis of polysubstituted imidazo[1,5-<i>a</i>]pyridines and imidazo[1,5-<i>a</i>]isoquinolines.","Organic & biomolecular chemistry","2022","20","20","4215","4223","10.1039/d2ob00526c","","x-ray","1.54184","CuKα","","0.0505","0.0487","","","0.1375","0.1397","","","","","","1.113","","","","has coordinates,has disorder","275829","2022-06-06","02:06:26",""
"7158669","15.3058","0.0005","6.108","0.0002","28.2912","0.0009","90","","101.503","0.003","90","","2591.76","0.15","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C128 H80 O40 -","8","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0444","0.0382","","","0.0985","0.1044","","","","","","1.0486","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158670","4.4392","0.0001","6.5027","0.0001","22.2547","0.0003","90","","91.313","0.001","90","","642.25","0.02","298","","298","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C32 H20 O10 -","2","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0284","0.0283","","","0.0744","0.0747","","","","","","1.1546","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158678","10.5429","0.0011","10.9205","0.001","11.7539","0.0012","65.707","0.01","75.725","0.009","64.564","0.01","1109.9","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N O3 P -","- C29 H20 N O3 P -","- C58 H40 N2 O6 P2 -","2","1","","Peng, Lingteng; Hu, Zhifang; Zhao, Yanting; Peng, Lifen; Xu, Zhi; Yin, Shuang-Feng; Tang, Zilong; Qiu, Renhua; Kambe, Nobuaki","One-pot synthesis of phosphorylnaphth[2,1-<i>d</i>]oxazoles and products as P,N-ligands in C-N and C-C formation.","Organic & biomolecular chemistry","2022","20","20","4110","4114","10.1039/d2ob00565d","","x-ray","0.71073","MoKα","","0.0484","0.0408","","","0.0927","0.098","","","","","","1.016","","","","has coordinates","275827","2022-06-06","02:06:06",""
"7158685","8.5101","0.0003","9.0807","0.0003","9.5903","0.0003","77.657","0.001","83.055","0.001","88.402","0.001","718.67","0.04","170","2","170.02","","","","","","","","","4","P -1","-P 1","2","","avicenine A","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0425","0.0391","","","0.1024","0.1055","","","","","","1.046","","","","has coordinates","275826","2022-06-06","02:05:42",""
"7158686","9.7252","0.0004","7.2357","0.0003","10.0005","0.0004","90","","98.737","0.002","90","","695.56","0.05","170","2","170.04","","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-avicenine A","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0401","0.0351","","","0.0812","0.0869","","","","","","1.051","","","","has coordinates","275826","2022-06-06","02:05:54",""
"7158687","8.5948","0.0003","8.5216","0.0003","18.7212","0.0006","90","","100.035","0.001","90","","1350.19","0.08","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-Myrtopsine","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0361","0.0331","","","0.0843","0.0874","","","","","","1.065","","","","has coordinates","275826","2022-06-06","02:05:56",""
"7158694","9.928","0.002","11.674","0.002","12.353","0.003","81.04","0.03","82.19","0.03","78.4","0.03","1377.2","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N3 O4 S -","- C31 H34 N3 O4 S -","- C62 H68 N6 O8 S2 -","2","1","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.0635","0.0575","","","0.141","0.1452","","","","","","1.115","","","","has coordinates","275832","2022-06-06","02:06:45",""
"7158695","9.868","0.002","11.707","0.002","12.318","0.003","80.18","0.03","82.46","0.03","76.91","0.03","1359.4","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","1","0.5","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.076","0.0696","","","0.1819","0.1877","","","","","","1.095","","","","has coordinates","275832","2022-06-06","02:06:46",""
"7158697","9.0386","0.0004","10.9319","0.0005","13.2664","0.0006","75.768","0.002","71.588","0.002","87.843","0.002","1204.42","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C54 H58 N2 O8 -","2","1","","Singh, Prasoon Raj; Gopal, Braj; Kumar, Madan; Goswami, Avijit","A metal-free BF<sub>3</sub>·OEt<sub>2</sub> mediated chemoselective protocol for the synthesis of propargylic cyclic imines.","Organic & biomolecular chemistry","2022","20","24","4933","4941","10.1039/d2ob00530a","","","0.71073","MoKα","","0.0859","0.0568","","","0.144","0.1655","","","","","","1.024","","","","has coordinates","276674","2022-07-06","08:37:01",""
"7158698","3.8833","0.0004","16.3577","0.0013","23.692","0.002","90","","90.16","0.004","90","","1505","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1234","0.0609","","","0.1041","0.1229","","","","","","1.028","","","","has coordinates","276676","2022-07-06","08:37:42",""
"7158699","4.0812","0.0008","17.973","0.003","19.807","0.004","90","","90","","90","","1452.9","0.5","293.31","","293.31","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1222","0.0981","","","0.2533","0.2696","","","","","","1.102","","","","has coordinates","276676","2022-07-06","08:37:48",""
"7158702","11.8311","0.0003","12.9022","0.0003","14.4374","0.0003","75.339","0.002","70.665","0.002","78.677","0.002","1996.47","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C100 H84 N4 O20 -","4","2","","Hong, Kemiao; Yang, Xiangji; Zhang, Zhijing; Xie, Xiongda; Lv, Xin; Xu, Xinfang; Hu, Wenhao","Diastereoselective aldol-type interception of phenolic oxonium ylides for the direct assembly of 2,2-disubstituted dihydrobenzofurans.","Organic & biomolecular chemistry","2022","20","22","4635","4639","10.1039/d2ob00723a","","x-ray","1.54184","CuKα","","0.0469","0.041","","","0.1026","0.1059","","","","","","1.039","","","","has coordinates","276675","2022-07-06","08:37:14",""
"7158710","10.301","0.002","11.919","0.002","22.143","0.004","90","","100.5","0.03","90","","2673.1","0.9","298","","298","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","Guanidine mercury iodide","Guanidinium heptaiododimercurate(II)","","- C3 H18 Hg2 I7 N9 -","- C3 H18 Hg2 I7 N9 -","- C12 H72 Hg8 I28 N36 -","4","0.5","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.1853","0.039","","0.1","0.084","0.0853","","","0.52","","","1.042","","","","has coordinates","276673","2022-07-06","08:36:30",""
"7158711","10.3298","0.0004","13.1904","0.0004","22.5489","0.0006","90","","90","","90","","3072.38","0.17","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 N3 Ni O4 -","- C37 H35 N3 Ni O4 -","- C148 H140 N12 Ni4 O16 -","4","1","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.028","0.0247","","","0.0567","0.058","","","","","","1.033","","","","has coordinates","276673","2022-07-06","08:36:43",""
"7158713","17.4162","0.0016","11.9045","0.0011","34.111","0.003","90","","90","","90","","7072.3","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H23 N3 O4 -","- C37 H23 N3 O4 -","- C296 H184 N24 O32 -","8","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1964","0.0859","","","0.2212","0.2761","","","","","","1.023","","","","has coordinates","276672","2022-07-06","08:34:57",""
"7158714","8.5047","0.0011","27.831","0.004","10.6483","0.0015","90","","107.629","0.004","90","","2402","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H20 O5 -","- C35 H20 O5 -","- C140 H80 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1941","0.0659","","","0.1091","0.146","","","","","","1.01","","","","has coordinates","276672","2022-07-06","08:35:07",""
"7158715","7.992","0.003","8.725","0.003","17.432","0.006","87.327","0.011","79.388","0.012","89.684","0.011","1193.4","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H20 O4 -","- C35 H20 O4 -","- C70 H40 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1546","0.0651","","","0.1094","0.1271","","","","","","0.984","","","","has coordinates","276672","2022-07-06","08:35:11",""
"7158716","8.297","0.0004","12.8462","0.0007","13.7948","0.0007","114.993","0.0016","93.9003","0.0016","100.751","0.0018","1291.33","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O4 -","- C37 H24 O4 -","- C74 H48 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0936","0.0512","","","0.1148","0.1336","","","","","","1.021","","","","has coordinates","276672","2022-07-06","08:35:24",""
"7158717","18.978","0.002","12.483","0.0013","11.7028","0.0012","90","","94.907","0.003","90","","2762.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1616","0.0588","","","0.119","0.1569","","","","","","1.006","","","","has coordinates,has disorder","276672","2022-07-06","08:35:29",""
"7158718","10.5877","0.0014","12.8107","0.0016","18.985","0.003","90","","91.436","0.005","90","","2574.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 N2 O3 -","- C35 H22 N2 O3 -","- C140 H88 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.082","0.0465","","","0.0943","0.109","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:40",""
"7158719","9.7066","0.0006","12.5713","0.0007","23.8206","0.0014","90","","100.881","0.002","90","","2854.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O3 -","- C38 H28 N2 O3 -","- C152 H112 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0807","0.0469","","","0.1061","0.1197","","","","","","1.026","","","","has coordinates","276672","2022-07-06","08:35:44",""
"7158720","12.9685","0.0009","13.8484","0.0011","20.7097","0.0016","90","","93.367","0.002","90","","3712.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 N O5 -","- C42 H25 N O5 -","- C168 H100 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.135","0.0595","","","0.1421","0.1739","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:56",""
"7158721","13.3642","0.0011","14.9517","0.0012","20.5922","0.0015","90","","90.279","0.002","90","","4114.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H27 N O5 -","- C43 H27 N O5 -","- C172 H108 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1722","0.0622","","","0.1425","0.1831","","","","","","0.975","","","","has coordinates","276672","2022-07-06","08:35:59",""
"7158730","12.2709","0.0005","15.7729","0.0005","10.1394","0.0003","90","","96.603","0.003","90","","1949.44","0.12","106.6","0.8","106.6","0.8","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O7 -","- C23 H24 O7 -","- C92 H96 O28 -","4","1","","Liu, Hongxin; Zhang, Yanjiang; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Pyrone and isocoumarin derivatives from the endophytic fungus <i>Cytospora rhizophorae</i>.","Organic & biomolecular chemistry","2022","20","24","4900","4904","10.1039/d2ob00846g","","x-ray","1.54184","CuKα","","0.1025","0.0529","","","0.1169","0.1377","","","","","","0.983","","","","has coordinates","276671","2022-07-06","08:34:10",""
"7158745","17.124","0.003","14.155","0.003","22.873","0.005","90","","106.7","0.03","90","","5310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H73 Dy N6 O5 -","- C59 H73 Dy N6 O5 -","- C236 H292 Dy4 N24 O20 -","4","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","0.71073","Synchrotron","","0.0704","0.0659","","","0.1668","0.1683","","","","","","1.165","","","","has coordinates,has disorder","277140","2022-08-06","12:03:01",""
"7158746","9.6751","0.0008","10.1384","0.001","13.4857","0.0012","107.731","0.008","109.77","0.008","93.109","0.007","1167.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O2 Se -","- C29 H22 O2 Se -","- C58 H44 O4 Se2 -","2","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","1.54184","CuKα","","0.0626","0.0455","","","0.1041","0.116","","","","","","1.064","","","","has coordinates,has disorder","277140","2022-08-06","12:03:02",""
"7158747","9.9894","0.0002","11.4609","0.0003","14.7673","0.0004","106.052","0.002","102.529","0.002","106.772","0.002","1472.53","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","E-1-(2-acetylaminophenyl)-1-bromo-2-(2-bromophenyl)ethene","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C64 H52 Br8 N4 O4 -","4","2","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0421","0.032","","","0.0754","0.0784","","","","","","1.033","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158748","8.339","0.0003","10.6181","0.0003","21.0722","0.0006","90","","92.485","0.003","90","","1864.07","0.1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-1-(2-Acetylaminophenyl)-2-(2-bromophenyl)-1-(4-methylphenyl)ethene","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C92 H80 Br4 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0359","0.0294","","","0.0642","0.066","","","","","","1.063","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158749","15.5398","0.0005","8.6572","0.0002","13.0504","0.0004","90","","99.779","0.003","90","","1730.18","0.09","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Ethanoyl-10-(4-methylphenyl)-5H-dibenzo[b,f]azepine","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0452","0.0375","","","0.0867","0.0909","","","","","","1.049","","","","has coordinates","277143","2022-08-06","12:03:21",""
"7158755","8.5489","0.0002","9.957","0.0002","12.8587","0.0003","71.144","0.002","81.512","0.002","81.501","0.002","1018.59","0.04","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N O4 P -","- C21 H30 N O4 P -","- C42 H60 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","1.54184","CuKα","","0.0329","0.0327","","","0.0844","0.0845","","","","","","1.061","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158756","10.0312","0.0006","10.9576","0.0009","13.176","0.0013","72.616","0.008","81.716","0.007","67.437","0.007","1275.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C54 H68 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0654","0.0531","","","0.1295","0.1387","","","","","","1.034","","","","has coordinates,has disorder","277141","2022-08-06","12:03:09",""
"7158757","10.7214","0.0004","11.9743","0.0006","18.1464","0.0008","88.453","0.004","77.487","0.004","74.219","0.004","2187.33","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N O4 P -","- C22 H32 N O4 P -","- C88 H128 N4 O16 P4 -","4","2","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0735","0.0626","","","0.1714","0.1818","","","","","","1.056","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158758","11.1124","0.0002","11.301","0.0001","10.6161","0.0002","90","","109.698","0.002","90","","1255.17","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Pawar, Amol Prakash; Yadav, Jyothi; Dolas, Atul Jankiram; Iype, Eldhose; Rangan, Krishnan; Kumar, Indresh","Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles.","Organic & biomolecular chemistry","2022","20","29","5747","5758","10.1039/d2ob00961g","","x-ray","1.54184","CuKα","","0.0411","0.0386","","","0.0964","0.098","","","","","","1.066","","","","has coordinates","277135","2022-08-06","12:02:29",""
"7158759","9.2756","0.0001","10.2061","0.0001","17.1546","0.0002","79.024","0.001","75.112","0.001","74.328","0.001","1498.29","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N O2 P -","- C37 H35 N O2 P -","- C74 H70 N2 O4 P2 -","2","1","","Xu, Xin-Ming; Li, Wenzhong; Li, Qiwei; Chen, Sen; Zhang, Xuesi; Yang, Bin; Wang, Wei-Li","Manganese(III)-promoted highly stereoselective phosphorylation of acyclic tertiary enamides to synthesize <i>E</i>-selective β-phosphoryl enamides.","Organic & biomolecular chemistry","2022","20","28","5566","5574","10.1039/d2ob00980c","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1527","0.1537","","","","","","1.052","","","","has coordinates","277142","2022-08-06","12:03:14",""
"7158760","10.2003","0.0006","9.935","0.0005","19.3125","0.001","90","","97.101","0.001","90","","1942.12","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2'R,3S,4'S)-di-tert-butyl 6-chloro-4'-((3-methyl-4-nitroisoxazol-5-yl)methyl)-2-oxo-1'-tosyl-2',4'-dihydro-1'H-spiro[indoline-3,3'-quinoline]-1,2'-dicarboxylate","","- C38 H39 Cl N4 O10 S -","- C38 H39 Cl N4 O10 S -","- C76 H78 Cl2 N8 O20 S2 -","2","1","","Li, Tong-Hao; Niu, Cheng; Du, Da-Ming","Enantioselective synthesis of isoxazole-containing spirooxindole tetrahydroquinolines <i>via</i> squaramide-catalysed cascade reactions.","Organic & biomolecular chemistry","2022","20","28","5582","5588","10.1039/d2ob00864e","","","0.71073","MoKα","","0.0997","0.0758","","","0.2016","0.2268","","","","","","1.006","","","","has coordinates,has disorder","277144","2022-08-06","12:03:26",""
"7158761","8.805","0.003","6.864","0.002","10.545","0.004","90","","110.673","0.01","90","","596.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","0.5","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0802","0.0607","","","0.1836","0.2048","","","","","","1.093","","","","has coordinates","277136","2022-08-06","12:02:35",""
"7158762","9.232","0.0012","9.6032","0.0013","10.3394","0.0014","75.363","0.004","80.372","0.004","79.124","0.004","864.1","0.2","308","2","308","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0688","0.0454","","","0.1536","0.1762","","","","","","1.187","","","","has coordinates","277136","2022-08-06","12:02:36",""
"7158765","10.6549","0.0006","11.8312","0.0006","12.7053","0.0007","62.656","0.002","78.805","0.002","65.198","0.002","1291.45","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Br N2 O S2 -","- C11 H9 Br N2 O S2 -","- C44 H36 Br4 N8 O4 S8 -","4","2","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","0.71073","MoKα","","0.0638","0.0402","","","0.1014","0.1145","","","","","","1.015","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7158766","6.5681","0.0004","14.0924","0.0009","15.4674","0.001","90","","94.19","0.004","90","","1427.84","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","1.54178","CuKα","","0.0798","0.0686","","","0.144","0.1507","","","","","","1.33","","","","has coordinates","277137","2022-08-06","12:02:41",""
"7158767","8.739","0.005","6.41","0.004","33.594","0.018","90","","94.59","0.017","90","","1875.8","1.9","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-di-p-tolyl-2,3-dihydro-1H-inden-1-one","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2604","0.0828","","","0.1533","0.2431","","","","","","0.901","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158768","8.6355","0.0011","6.4732","0.0008","30.237","0.003","90","","91.3","0.011","90","","1689.8","0.3","301.41","0.1","301.41","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-diphenyl-2,3-dihydro-1H-inden-1-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","x-ray","0.71073","MoKα","","0.137","0.1093","","","0.2831","0.2979","","","","","","1.065","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158769","18.013","0.002","10.9258","0.0016","19.1838","0.0015","90","","93.691","0.007","90","","3767.7","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1a,6a-di-m-tolyl-1a,6a-dihydro-6H-indeno[1,2-b]oxiren-6-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2157","0.119","","","0.3577","0.4399","","","","","","1.1824","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158773","9.8688","0.0007","9.9088","0.0007","10.7278","0.0008","73.336","0.002","75.766","0.002","60.403","0.002","866.99","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N O4 P -","- C18 H20 N O4 P -","- C36 H40 N2 O8 P2 -","2","1","","Xiong, Ting; Zhou, Xingcui; Jiang, Jun","Dearomative oxyphosphorylation of indoles enables facile access to 2,2-disubstituted indolin-3-ones.","Organic & biomolecular chemistry","2022","20","29","5721","5725","10.1039/d2ob01063a","","","0.71073","MoKα","","0.0695","0.0589","","","0.158","0.1673","","","","","","1.026","","","","has coordinates,has disorder","277139","2022-08-06","12:02:54",""
"7158774","9.659","0.003","18.266","0.005","10.132","0.003","90","","113.345","0.01","90","","1641.3","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0997","0.0509","","","0.1009","0.123","","","","","","1.014","","","","has coordinates","276870","2022-07-23","02:27:54",""
"7158775","9.7783","0.0009","11.9953","0.001","17.4364","0.0015","81.427","0.003","83.627","0.004","70.331","0.003","1900.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.085","0.056","","","0.1241","0.1386","","","","","","1.03","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158776","10.678","0.003","9.987","0.003","24.015","0.007","90","","100.609","0.015","90","","2517.2","1.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N4 O8 -","- C26 H32 N4 O8 -","- C104 H128 N16 O32 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.2888","0.0968","","","0.2035","0.2804","","","","","","0.954","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158777","10.8202","0.0009","12.3589","0.001","15.5997","0.0014","92.661","0.003","109.964","0.003","107.892","0.003","1839","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-9-chloro-3-(3-chlorophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C6.67 H6 Cl0.67 N1.33 O0.67 -","- C6.66667 H6 Cl0.666667 N1.33333 O0.666667 -","- C80 H72 Cl8 N16 O8 -","12","6","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0858","0.0445","","","0.0937","0.1059","","","","","","1.07","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158778","8.8126","0.0004","23.7747","0.0009","9.4899","0.0004","90","","110.606","0.001","90","","1861.09","0.14","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O2 -","- C20 H18 Cl2 N4 O2 -","- C80 H72 Cl8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0476","0.0398","","","0.09","0.0943","","","","","","1.077","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158779","12.5996","0.0006","7.267","0.0003","42.5196","0.0018","90","","90","","90","","3893.1","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","1-methyl-4-(3-methyl-2-oxo-1-phenylimidazolidin-4-yl)-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C160 H192 N32 O32 -","8","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0615","0.0565","","","0.1406","0.1443","","","","","","1.098","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158780","9.118","0.004","10.799","0.004","10.873","0.005","90.043","0.014","100.093","0.012","95.192","0.012","1049.6","0.8","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(10cS,13aS,13bR)-2,11-dimethyl-13-(naphthalen-2-yl)-1,10c,11,13,13a,13b-hexahydro-3H-benzo[f]diimidazo[1,5-a:4',5'-c]quinoline-3,12(2H)-dione","","- C28 H24 N4 O2 -","- C28 H24 N4 O2 -","- C56 H48 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0702","0.0437","","","0.1021","0.1154","","","","","","1.029","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158781","6.3685","0.0003","7.0657","0.0003","18.9967","0.001","90","","97.181","0.002","90","","848.11","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0541","0.0498","","","0.1247","0.1272","","","","","","1.111","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158782","14.616","0.003","9.5381","0.0015","15.044","0.002","90","","117.626","0.005","90","","1858.2","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aS,3bS,11bS)-10-bromo-3-(4-bromophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C20 H18 Br2 N4 O2 -","- C20 H18 Br2 N4 O2 -","- C80 H72 Br8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0332","0.025","","","0.0549","0.0584","","","","","","1.034","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158783","9.6635","0.0007","11.4629","0.0008","14.1743","0.001","91.874","0.002","106.844","0.002","112.114","0.002","1374.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-3,5-bis(4-bromobenzyl)-1-phenyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C32 H26 Br2 N4 O2 -","- C32 H26 Br2 N4 O2 -","- C64 H52 Br4 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0714","0.0466","","","0.1163","0.1344","","","","","","0.814","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158789","7.6201","0.0011","11.12","0.002","12.625","0.002","106.776","0.004","99.113","0.004","96.569","0.006","996.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F6 N2 -","- C24 H16 F6 N2 -","- C48 H32 F12 N4 -","2","1","","Geng, Furong; Wu, Shaofeng; Gan, Xinyang; Hou, Wenjuan; Dong, Jianyu; Zhou, Yongbo","TEMPO mediated oxidative annulation of aryl methyl ketones with amines/ammonium acetate for imidazole synthesis.","Organic & biomolecular chemistry","2022","20","27","5416","5422","10.1039/d2ob00828a","","","0.71073","MoKα","","0.0366","0.0349","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","276875","2022-07-23","02:30:50",""
"7158863","19.9343","0.0014","7.2169","0.0005","20.77","0.0014","90","","104.434","0.007","90","","2893.7","0.4","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 I N2 O S -","- C16 H9 I N2 O S -","- C128 H72 I8 N16 O8 S8 -","8","2","","Fang, Yu; Ren, Shangfeng; He, Chen; Han, Huiqi; Liu, Jin-Biao; Liao, Fumin; Yang, Min","Selective halocyclization and iodosulfonylation of <i>N</i>-benzothiazol-2-yl alkynamides under mild conditions.","Organic & biomolecular chemistry","2022","20","33","6550","6553","10.1039/d2ob01165d","","x-ray","0.71073","MoKα","","0.0731","0.0432","","","0.08","0.094","","","","","","1.022","","","","has coordinates","277631","2022-09-05","21:19:29",""