# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-14T05:24:22+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & Biomolecular Chemistry') AND volume = 15 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
"1546832","8.6241","0.0004","12.8186","0.0006","18.8093","0.0011","90","","94.972","0.005","90","","2071.52","0.18","297.4","","297.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Luo, Wenjun; Hu, Haiwen; Nian, Sanfei; Qi, Liang; Ling, Fei; Zhong, Weihui","Phosphine-catalyzed [3 + 2] annulation reaction: highly regio- and diastereoselective synthesis of 2-azaspiro[4.4]nonene-1,3-diones","Organic & Biomolecular Chemistry","2017","15","36","7523","7526","10.1039/C7OB01957B","","","0.71073","MoKα","","0.0902","0.0527","","","0.1261","0.1497","","","","","","1.022","","","","has coordinates","282777","2023-04-20","11:56:48",""
"7155325","7.3024","0.0006","8.6519","0.0008","8.9513","0.0006","77.266","0.002","86.338","0.002","88.215","0.002","550.42","0.08","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","x-ray","0.71073","MoKα","","0.0661","0.0429","","","0.1016","0.1137","","","","","","1.01","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155326","5.704","0.002","6.297","0.003","18.887","0.009","93.901","0.011","95.455","0.01","106.13","0.01","645.6","0.5","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C28 H44 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","","0.71073","MoKα","","0.1448","0.0788","","","0.1943","0.2402","","","","","","0.989","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155338","32.0131","0.0005","15.5735","0.0002","14.771","0.0004","90","","90","","90","","7364.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C118 H198 N33 O26.4 P3 S5 -","- C118 H198 N33 O26.4 P3 S5 -","- C236 H396 N66 O52.8 P6 S10 -","2","0.5","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.1365","0.1279","","","0.3742","0.3923","","","","","","1.76","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155339","9.3172","0.0002","18.6791","0.0004","29.1423","0.0005","90","","90","","90","","5071.84","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo[(R)-Lac-1,4-Tri-Epa]3","","","- C40 H57 N15 O8.35 S5 -","- C40 H57 N15 O8.35 S5 -","- C160 H228 N60 O33.4 S20 -","4","1","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.035","0.0327","","","0.0821","0.0843","","","","","","1.033","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155340","9.9835","0.0014","12.2707","0.0016","23.46","0.003","90","","90","","90","","2874","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C124 H144 N8 O24 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1975","0.189","","","0.3905","0.401","","","","","","1.778","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155341","22.0361","0.001","8.9726","0.0004","18.4215","0.0008","90","","98.967","0.003","90","","3597.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H44 N2 O7 -","- C39 H44 N2 O7 -","- C156 H176 N8 O28 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1055","0.0977","","","0.2925","0.3097","","","","","","1.334","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155348","19.765","0.001","17.35","0.001","24.003","0.002","90","","90","","90","","8231.2","0.9","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C70 H25 Br O5 -","- C70 H25.5 Br O5 -","- C560 H204 Br8 O40 -","8","1","","Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.","Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.","Organic & biomolecular chemistry","2017","15","4","773","777","10.1039/c6ob02251k","","","0.88561","synchrotron","","0.2131","0.1041","","","0.2425","0.2686","","","","","","1.054","","","","has coordinates,has disorder","191733","2020-10-21","18:00:00",""
"7155360","7.1072","0.0005","13.7421","0.0011","27.891","0.002","90","","90","","90","","2724.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C116 H184 O16 Si4 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.","Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.","Organic & biomolecular chemistry","2016","15","1","65","68","10.1039/c6ob02322c","","","0.71073","MoKα","","0.0401","0.0345","","","0.0858","0.0937","","","","","","1.112","","","","has coordinates","191756","2020-10-21","18:00:00",""
"7155369","18.6","0.01","9.144","0.006","23.69","0.01","90","","105.818","0.009","90","","3877","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 N5 -","- C44 H39 N5 -","- C176 H156 N20 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1993","0.0631","","","0.0975","0.1141","","","","","","1.136","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155370","17.781","0.0008","15.3478","0.0009","6.0728","0.0002","90","","99.114","0.005","90","","1636.34","0.13","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1235","0.0705","","","0.1524","0.1875","","","","","","1.075","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155371","7.9273","0.0005","9.3159","0.0006","18.0174","0.0012","94.642","0.0018","93.031","0.0017","114.92","0.0015","1197.16","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C50 H50 N2 O14 S2 -","2","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.0579","0.0451","","","0.1295","0.1442","","","","","","1.072","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155372","7.7546","0.0004","12.129","0.0006","9.9209","0.0006","90","","105.288","0.0014","90","","900.1","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu2 F4 Fe H8 O8 P -","- Cu2 F4 Fe H8 O8 P -","- Cu8 F16 Fe4 H32 O32 P4 -","4","0.5","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","x-ray","0.71073","MoKα","","0.0189","0.0171","","","0.048","0.0489","","","","","","1.034","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155373","37.005","0.008","11.212","0.002","45.528","0.01","90","","91.208","0.003","90","","18885","7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N3 -","- C32 H23 N3 -","- C1024 H736 N96 -","32","4","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.169","0.0809","","","0.2257","0.3051","","","","","","1.008","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155374","8.4926","0.0002","7.9538","0.0002","28.9887","0.0007","90","","91.1","0.001","90","","1957.78","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0658","0.0426","","","0.1054","0.1207","","","","","","1.019","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155375","15.8218","0.0007","8.1579","0.0003","16.5439","0.0007","90","","100.532","0.002","90","","2099.39","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0779","0.0473","","","0.1199","0.1462","","","","","","1.028","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155376","7.4821","0.0004","13.9447","0.0009","14.9797","0.0012","90","","90","","90","","1562.92","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Zhang, Zhijiang; Liu, Bo","Total synthesis and confirmation of the revised structures of jiangrines A, C and D.","Organic & biomolecular chemistry","2016","15","1","207","212","10.1039/c6ob02379g","","x-ray","0.71073","MoKα","","0.0786","0.0523","","","0.1052","0.121","","","","","","1.056","","","","has coordinates,has disorder","191754","2020-10-21","18:00:00",""
"7155377","6.89706","0.00006","13.34116","0.00017","9.5759","0.00011","90","","94.1494","0.0009","90","","878.815","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0353","0.0343","","","0.0908","0.0927","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155378","6.71157","0.00009","12.95291","0.00017","20.1272","0.0002","90","","97.8329","0.0011","90","","1733.42","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-5-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0506","0.0484","","","0.1327","0.1378","","","","","","1.045","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155379","13.6989","0.0005","7.5129","0.0002","15.8965","0.0005","90","","103.187","0.003","90","","1592.9","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0695","0.0659","","","0.1684","0.1761","","","","","","1.067","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155380","6.3617","0.0003","10.0016","0.0003","20.4847","0.0007","90","","90","","90","","1303.38","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1572","0.1639","","","","","","1.195","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155381","6.35866","0.00012","9.99503","0.00017","20.4733","0.0003","90","","90","","90","","1301.18","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0469","0.0433","","","0.1218","0.1282","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155382","6.71457","0.00006","12.74183","0.00011","19.91482","0.00019","90","","98.6786","0.0009","90","","1684.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0435","0.0411","","","0.1214","0.1225","","","","","","1.129","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155383","13.67692","0.00013","7.47473","0.00008","15.84227","0.00018","90","","103.335","0.001","90","","1575.91","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0504","0.0492","","","0.1308","0.1328","","","","","","1.027","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155384","6.89663","0.00007","13.34364","0.00017","9.58347","0.00009","90","","94.1421","0.0009","90","","879.626","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-6-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0473","0.0464","","","0.1191","0.1208","","","","","","1.057","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155385","16.5936","0.0003","16.0072","0.0003","12.75162","0.00019","90","","90","","90","","3387.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,6S,7S)-5,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethylnon-1-en-3-yl acrylate","","- C28.15 H54.38 O4 Si2 -","- C28 H54 O4 Si2 -","- C112 H216 O16 Si8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.1042","0.0885","","","0.255","0.2637","","","","","","1.101","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155386","8.8528","0.0007","10.3504","0.0008","14.1556","0.0011","91.588","0.005","107.369","0.004","115.303","0.013","1100.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H23 F3 O4 -","- C22 H23 F3 O4 -","- C44 H46 F6 O8 -","2","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","x-ray","0.71073","MoKα","","0.0511","0.0415","","","0.1157","0.1211","","","","","","1.07","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155387","8.898","0.003","26.042","0.007","9.427","0.002","90","","91.704","0.006","90","","2183.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N O5 -","- C23 H24 F3 N O5 -","- C92 H96 F12 N4 O20 -","4","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","","0.71073","MoKα","","0.1229","0.078","","","0.1768","0.1978","","","","","","1.036","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155388","7.9939","0.0005","8.0488","0.0004","22.5543","0.0013","96.579","0.002","96.368","0.002","90.008","0.002","1432.6","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H13 Br F N O2 -","- C16 H13 Br F N O2 -","- C64 H52 Br4 F4 N4 O8 -","4","4","","Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Catalytic asymmetric aldol addition reactions of 3-fluoro-indolinone derived enolates.","Organic & biomolecular chemistry","2017","15","2","311","315","10.1039/c6ob02454h","","","0.71073","MoKα","","0.0448","0.0365","","","0.0778","0.0809","","","","","","1.029","","","","has coordinates","191724","2020-10-21","18:00:00",""
"7155389","6.5505","0.0003","8.7111","0.0004","9.9103","0.0005","82.5366","0.0018","73.6985","0.0014","76.9181","0.0018","527.35","0.04","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","1","1","","Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.","Organic & biomolecular chemistry","2017","15","2","320","323","10.1039/c6ob02506d","","","1.54178","","","0.0298","0.0297","","","0.0766","0.0768","","","","","","1.031","","","","has coordinates","191722","2020-10-21","18:00:00",""
"7155390","10.8152","0.0005","8.5569","0.0003","20.0431","0.0009","90","","95.275","0.004","90","","1847.02","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P S -","- C22 H17 O P S -","- C88 H68 O4 P4 S4 -","4","1","","Wang, Dungai; Zhao, Jinlong; Xu, Weigang; Shao, Changwei; Shi, Zheng; Li, Liang; Zhang, Xinghua","Metal- and base-free reductive coupling reaction of P(O)-H with aryl/alkyl sulfonyl chlorides: a novel protocol for the construction of P-S-C bonds.","Organic & biomolecular chemistry","2017","15","3","545","549","10.1039/c6ob02364a","","","0.71073","MoKα","","0.0567","0.0418","","","0.1294","0.145","","","","","","1.008","","","","has coordinates","191738","2020-10-21","18:00:00",""
"7155391","7.5252","0.0007","24.2334","0.0017","15.7891","0.0016","90","","90.167","0.004","90","","2879.3","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H9 F19 N4 O3 -","- C43 H9 F19 N4 O3 -","- C86 H18 F38 N8 O6 -","2","0.25","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.1481","0.1288","","","0.3683","0.3961","","","","","","1.477","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"7155392","13.7073","0.0006","13.9417","0.0006","41.647","0.002","90","","90.131","0.0016","90","","7958.8","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H30 F38 N8 O4 -","- C94 H30 F38 N8 O4 -","- C376 H120 F152 N32 O16 -","4","0.5","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0648","0.0581","","","0.1565","0.1602","","","","","","1.075","","","","has coordinates","191726","2020-10-21","18:00:00",""
"7155393","15.894","0.001","16.7789","0.001","18.4175","0.0011","79.362","0.002","69.996","0.002","65.955","0.002","4209","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.79 H12.84 Cl1.3 F19 N4 O2 S1.14 -","- C45.786 H12.842 Cl1.302 F19 N4 O2 S1.135 -","- C183.144 H51.368 Cl5.208 F76 N16 O8 S4.54 -","4","2","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0466","0.0395","","","0.096","0.1018","","","","","","1.027","","","","has coordinates,has disorder","191726","2020-10-21","18:00:00",""
"7155394","6.1225","0.0006","16.4269","0.0015","15.5669","0.0014","90","","93.055","0.003","90","","1563.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Xia, Chengcai; Wang, Kai; Xu, Jun; Shen, Chao; Sun, Di; Li, Hongshuang; Wang, Guodong; Zhang, Pengfei","Selective remote esterification of 8-aminoquinoline amides via copper(ii)-catalyzed C(sp(2))-O cross-coupling reaction.","Organic & biomolecular chemistry","2017","15","3","531","535","10.1039/c6ob02375d","","","0.71073","MoKα","","0.0636","0.0455","","","0.1248","0.139","","","","","","1.027","","","","has coordinates","191743","2020-10-21","18:00:00",""
"7155395","10.6177","0.0006","12.3153","0.0007","22.9275","0.0013","90","","91.573","0.004","90","","2996.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H80 O12 Si2 -","- C60 H80 O12 Si2 -","- C120 H160 O24 Si4 -","2","1","","Bandara, Mithila D.; Yasomanee, Jagodige P.; Rath, Nigam P.; Pedersen, Christian M.; Bols, Mikael; Demchenko, Alexei V.","Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot.","Organic & biomolecular chemistry","2017","15","3","559","563","10.1039/c6ob02498j","","","0.71073","MoKα","","0.1417","0.0616","","","0.1338","0.1714","","","","","","1.017","","","","has coordinates,has disorder","191745","2020-10-21","18:00:00",""
"7155396","9.6767","0.0004","13.4665","0.0005","25.2462","0.0007","90","","100.061","0.003","90","","3239.3","0.2","110.02","0.13","110.02","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N6 O8 -","- C28 H42 N6 O8 -","- C112 H168 N24 O32 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0904","0.0618","","","0.1284","0.1448","","","","","","1.095","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155397","17.7469","0.0006","8.5054","0.0003","28.7562","0.001","90","","90","","90","","4340.6","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N6 O6 -","- C19 H28 N6 O6 -","- C152 H224 N48 O48 -","8","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0652","0.053","","","0.1498","0.1607","","","","","","1.061","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155398","12.7749","0.0011","10.4901","0.001","9.508","0.0013","90","","90","","90","","1274.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0511","0.0393","","","0.0869","0.0945","","","","","","1.064","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155399","13.21","0.0006","14.3452","0.0006","14.9727","0.001","96.394","0.004","116.168","0.003","107.161","0.003","2334.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0896","0.0649","","","0.1879","0.2116","","","","","","1.047","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155400","13.2663","0.0006","14.226","0.0007","15.0088","0.0007","68.446","0.003","63.857","0.003","73.509","0.003","2339.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","2","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0652","0.0593","","","0.1638","0.172","","","","","","1.049","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155401","12.8657","0.0004","14.2553","0.0004","14.8313","0.0004","95.487","0.002","114.669","0.002","107.436","0.002","2280.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 N6 O11 -","- C42 H56 Cl2 N6 O11 -","- C84 H112 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.063","0.0577","","","0.1616","0.1671","","","","","","1.028","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155402","10.8402","0.0018","10.9776","0.0018","11.4168","0.0019","90","","90","","90","","1358.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo","Rhodium-catalyzed C-H functionalization with N-acylsaccharins.","Organic & biomolecular chemistry","2017","15","3","536","540","10.1039/c6ob02526a","","","0.71073","MoKα","","0.0388","0.036","","","0.0868","0.0888","","","","","","1.071","","","","has coordinates","191735","2020-10-21","18:00:00",""
"7155403","13.5987","0.0002","7.2344","0.0001","13.7418","0.0002","90","","90","","90","","1351.9","0.03","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C64 H40 Cl8 N8 O8 -","4","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0287","0.0274","","0.0768","0.0748","0.0761","","","","","","1.0054","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155404","9.6458","0.0002","14.7532","0.0002","11.0237","0.0002","90","","109.373","0.0018","90","","1479.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0406","0.0382","","0.0984","0.0962","0.0984","","","","","","0.9881","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155405","7.3292","0.0001","19.7192","0.0003","10.6272","0.0002","90","","97.9329","0.0017","90","","1521.21","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0557","0.0538","","0.1376","0.1358","0.1376","","","","","","0.9886","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155406","12.2306","0.0007","13.6348","0.0008","8.4844","0.0005","90","","93.658","0.001","90","","1411.99","0.14","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 -","- C18 H18 F2 N2 -","- C72 H72 F8 N8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","0.71073","MoKα","","0.0447","0.0406","","","0.1138","0.1174","","","","","","1.033","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155407","7.3791","0.0001","12.5501","0.0002","7.4981","0.0001","90","","90","","90","","694.387","0.017","150","","150","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0253","0.0252","","0.0692","0.0691","0.0692","","","","","","1.0136","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155408","11.0208","0.0008","5.0952","0.0004","14.7276","0.0011","90","","103.403","0.006","90","","804.48","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl F6 N2 O6 -","- C10 H17 Cl F6 N2 O6 -","- C20 H34 Cl2 F12 N4 O12 -","2","1","","Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter","Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids.","Organic & biomolecular chemistry","2017","15","3","672","679","10.1039/c6ob02436j","","","1.54178","CuKα","","0.1253","0.0918","","","0.1578","0.169","","","","","","1.191","","","","has coordinates","191741","2020-10-21","18:00:00",""
"7155409","7.6236","0.0002","6.9169","0.0002","26.9337","0.0007","90","","95.617","0.001","90","","1413.44","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0442","0.0406","","","0.1393","0.1449","","","","","","1.137","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155410","7.5076","0.0006","7.9269","0.0006","13.2339","0.001","94.761","0.004","94.576","0.004","98.12","0.004","773.64","0.1","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","2","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0336","0.0303","","","0.0951","0.0989","","","","","","0.763","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155411","4.3644","0.0003","15.4436","0.001","7.821","0.0006","90","","99.674","0.005","90","","519.66","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H8 Br2 -","- C11 H8 Br2 -","- C22 H16 Br4 -","2","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0451","0.0419","","","0.1405","0.1476","","","","","","0.671","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155412","7.0321","0.00018","8.4501","0.0002","40.7561","0.0011","90","","90","","90","","2421.81","0.11","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl octahydroindole-2-carboxylic acid methyl ester","methyl (2S,3aS,7aS)-1-acetyloctahydro-1H-indole-2-carboxylate","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C96 H152 N8 O24 -","8","2","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0831","0.084","","","","","","1.083","","","","has coordinates","191740","2020-10-21","18:00:00",""
"7155413","23.5858","0.0012","19.6801","0.0008","15.1629","0.0011","90","","90","","90","","7038.2","0.7","150","2","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide","","- C61 H81 Br N7 O7 -","- C61 H81 Br N7 O7 -","- C244 H324 Br4 N28 O28 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0995","0.0702","","","0.1624","0.186","","","","","","0.986","","","","has coordinates,has disorder","191740","2020-10-21","18:00:00",""
"7155414","6.2188","0.0009","9.282","0.0013","25.561","0.004","90","","90","","90","","1475.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo","An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.","Organic & biomolecular chemistry","2017","15","3","649","661","10.1039/c6ob02523d","","","0.71073","MoKα","","0.0519","0.044","","","0.1025","0.1062","","","","","","1.034","","","","has coordinates","191744","2020-10-21","18:00:00",""
"7155415","15.968","0.002","9.5866","0.0012","26.313","0.003","90","","104.893","0.002","90","","3892.7","0.8","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br2 N4 O -","- C20 H18 Br2 N4 O -","- C160 H144 Br16 N32 O8 -","8","1","","Sun, Yuan-Ming; Yu, Liu-Zhu; Zhu, Zi-Zhong; Hu, Xu-Bo; Gao, Yu-Ning; Shi, Min","Electronic halocyclization and radical haloazidation of benzene-linked 1,7-dienes for the synthesis of functionalized 3,1-benzoxazines.","Organic & biomolecular chemistry","2017","15","3","634","639","10.1039/c6ob02566h","","","0.71073","MoKα","","0.0663","0.04","","","0.089","0.0974","","","","","","1.024","","","","has coordinates","191736","2020-10-21","18:00:00",""
"7155416","14.7029","0.0005","5.8234","0.0002","22.2875","0.0007","90","","109.218","0.0017","90","","1801.93","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0547","0.0364","","","0.0872","0.1006","","","","","","1.029","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155417","10.6354","0.0007","10.7608","0.0007","11.0786","0.0007","66.546","0.003","66.529","0.002","84.182","0.003","1064.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0554","0.0418","","","0.1052","0.116","","","","","","1.031","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155418","15.7235","0.0004","7.2386","0.0002","25.4616","0.0007","90","","96.401","0.003","90","","2879.87","0.14","100.01","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline","","- C19 H10 F3 N3 -","- C19 H10 F3 N3 -","- C152 H80 F24 N24 -","8","2","","Borges da Silva, Ramon; Teixeira, Rodolfo Inêz; Wardell, James L.; Wardell, Solange M. S. V.; Garden, Simon J.","Copper(ii) catalyzed synthesis of novel helical luminescent benzo[4,5]imidazo[1,2-a][1,10]phenanthrolines via an intramolecular C-H amination reaction.","Organic & biomolecular chemistry","2017","15","4","812","826","10.1039/c6ob02508k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1128","0.1223","","","","","","1.062","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155419","4.7845","0.0014","7.017","0.002","21.72","0.006","90","","92.133","0.004","90","","728.7","0.4","150","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C34 H30 N6 O6 -","2","1","","Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael","Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.","Organic & biomolecular chemistry","2017","15","3","576","580","10.1039/c6ob02622b","","","0.71073","","","0.065","0.0395","","","0.0674","0.0754","","","","","","1.041","","","","has coordinates","191742","2020-10-21","18:00:00",""
"7155420","7.8745","0.0017","19.699","0.004","21.755","0.005","90","","90","","90","","3374.6","1.3","293","2","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","1","","Chauhan, Parul; Ravi, Makthala; Kant, Ruchir; Yadav, Prem P.","Oxidative coupling of 1-(2-methyl-4-phenylquinolin-3-yl)ethanone with ethanol and unexpected deacetylative synthesis of 3-hydroxy quinoline.","Organic & biomolecular chemistry","2017","15","5","1080","1085","10.1039/c6ob02336c","","","0.71075","MoKα","","0.0728","0.0469","","","0.107","0.1126","","","","","","0.879","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155421","22.805","0.006","8.174","0.002","24","0.006","90","","90","","90","","4474","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.","Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.","Organic & biomolecular chemistry","2017","15","4","863","869","10.1039/c6ob02595a","","","0.71073","MoKα","","0.0886","0.067","","","0.1263","0.1348","","","","","","1.143","","","","has coordinates","191729","2020-10-21","18:00:00",""
"7155422","9.5678","0.0005","12.3013","0.0007","15.5374","0.0009","90","","101.71","0.001","90","","1790.64","0.17","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 I2 N O2 S -","- C15 H19 I2 N O2 S -","- C60 H76 I8 N4 O8 S4 -","4","1","","Wang, Ruijia; OuYang, Yuejun; Xu, Chonghui; Yi, Niannian; Jiang, Jun; Deng, Wei; Zeng, Zebing; Xiang, Jiannan","Hypervalent iodine-triggered transformation of homopropargyl sulfonamides into dihalo-2,3-dihydropyrroles.","Organic & biomolecular chemistry","2017","15","4","796","800","10.1039/c6ob02536f","","","0.71073","MoKα","","0.0257","0.0214","","","0.0511","0.0527","","","","","","1.098","","","","has coordinates","191732","2020-10-21","18:00:00",""
"7155423","14.4101","0.0002","11.66149","0.00018","15.7982","0.0002","90","","105.348","0.0016","90","","2560.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 F16 N2 O2 -","- C25 H16 F16 N2 O2 -","- C100 H64 F64 N8 O8 -","4","1","","Emerson-King, Jack; Hauser, Simone A.; Chaplin, Adrian B.","C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.","Organic & biomolecular chemistry","2017","15","4","787","789","10.1039/c6ob02556k","","x-ray","0.71073","MoKα","","0.0589","0.0447","","","0.1273","0.1414","","","","","","1.035","","","","has coordinates,has disorder","191728","2020-10-21","18:00:00",""
"7155424","10.5528","0.001","18.834","0.0017","8.051","0.0008","90","","110.027","0.002","90","","1503.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Qiao, Rui; Ye, Leping; Hu, Kun; Yu, Shuling; Yang, Weiguang; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue","Copper-catalyzed C-O bond cleavage and cyclization: synthesis of indazolo[3,2-b]quinazolinones.","Organic & biomolecular chemistry","2017","15","10","2168","2173","10.1039/c6ob02352e","","","0.71073","MoKα","","0.0389","0.0349","","","0.0969","0.0996","","","","","","1.054","","","","has coordinates","195164","2020-10-21","18:00:00",""
"7155425","9.8525","0.001","11.9699","0.0013","12.0037","0.0013","83.402","0.002","88.727","0.002","75.661","0.002","1362.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cl N4 O5 -","- C31 H27 Cl N4 O5 -","- C62 H54 Cl2 N8 O10 -","2","1","","Zhu, Yan-Shuo; Wang, Wen-Bo; Yuan, Bei-Bei; Li, Ya-Ning; Wang, Qi-Lin; Bu, Zhan-Wei","A DBU-catalyzed Michael-Pinner-isomerization cascade reaction of 3-hydroxyoxindoles with isatylidene malononitriles: access to highly functionalized bispirooxindoles containing a fully substituted dihydrofuran motif.","Organic & biomolecular chemistry","2017","15","4","984","990","10.1039/c6ob02254e","","","0.71073","MoKα","","0.0784","0.0691","","","0.1856","0.1949","","","","","","1.037","","","","has coordinates","191734","2020-10-21","18:00:00",""
"7155426","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Deng, Zhongfu; Peng, Xiangjun; Huang, Panpan; Jiang, Lili; Ye, Dongnai; Liu, Liangxian","A multifunctionalized strategy of indoles to C2-quaternary indolin-3-ones via a TEMPO/Pd-catalyzed cascade process.","Organic & biomolecular chemistry","2017","15","2","442","448","10.1039/c6ob02285e","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189873","2020-10-21","18:00:00",""
"7155427","9.344","0.003","22.993","0.007","16.649","0.005","90","","90","","90","","3577","1.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2,6-dimethylphenyl)-2-(N-(prop-2-yn-1-yl)acetamido)pentanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C144 H192 N16 O16 -","8","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.1588","0.0763","","","0.1767","0.2355","","","","","","1.001","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155428","7.2997","0.0003","8.7192","0.0003","27.1071","0.0011","90","","97.636","0.001","90","","1710","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1-(2,6-dimethylphenyl)-6-methyl-3-propyl-3,4-dihydropyrazin-2(1H)-one","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0708","0.0472","","","0.1161","0.131","","","","","","1.035","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155429","8.2348","0.0007","26.914","0.002","8.2642","0.0007","90","","108.859","0.002","90","","1733.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dimethylphenyl)-1,4-dimethylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0664","0.0532","","","0.1406","0.1508","","","","","","1.07","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155430","14.0741","0.0005","8.4735","0.0003","16.5267","0.0006","90","","115.019","0.001","90","","1785.99","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-4-isopropyl-1-methylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0499","0.0409","","","0.1019","0.1081","","","","","","1.04","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155431","5.5345","0.0009","10.8618","0.0018","14.707","0.002","90","","99.962","0.007","90","","870.8","0.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O7 -","- C16 H17 Br O7 -","- C32 H34 Br2 O14 -","2","1","","Li, Ji-Yao; Yu, Ke-Wei; Xie, Chao-Chao; Liu, Yan-Kai","Lactols in an asymmetric aldol-desymmetrization sequence: access to tetrahydro-4H-furo[2,3-b]pyran-2-one and tetrahydro-4H-furo[2,3-b]furan-2-one derivatives.","Organic & biomolecular chemistry","2017","15","6","1407","1417","10.1039/c6ob02420c","","","1.54184","CuKα","","0.041","0.0392","","","0.1042","0.1058","","","","","","1.053","","","","has coordinates","193894","2020-10-21","18:00:00",""
"7155432","6.8501","0.0005","22.11","0.0015","9.826","0.0007","90","","99.315","0.002","90","","1468.58","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O4 -","- C16 H16 Cl2 O4 -","- C64 H64 Cl8 O16 -","4","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0399","0.0336","","","0.0854","0.0899","","","","","","1.027","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155433","5.945","0.005","18.659","0.005","7.352","0.005","90","0.005","103.111","0.005","90","0.005","794.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O4 -","- C16 H20 Cl2 O4 -","- C32 H40 Cl4 O8 -","2","0.5","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0313","0.0282","","","0.0675","0.0698","","","","","","1.058","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155434","11.734","0.005","7.397","0.005","12.645","0.005","90","0.005","107.317","0.005","90","0.005","1047.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0809","0.0591","","","0.1732","0.1932","","","","","","1.049","","","","has coordinates,has disorder","191748","2020-10-21","18:00:00",""
"7155435","8.7034","0.0004","9.1817","0.0004","16.3996","0.0009","92.963","0.003","104.082","0.003","117.611","0.002","1105.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0778","0.072","","","0.1832","0.1857","","","","","","1.124","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155436","6.9645","0.0014","14.893","0.003","14.57","0.003","90","","101.19","0.03","90","","1482.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0774","0.0396","","","0.0845","0.1299","","","","","","1.153","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155437","8.8657","0.0018","11.708","0.002","13.548","0.003","90","","90","","90","","1406.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0972","0.0585","","","0.1521","0.2084","","","","","","1.04","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155438","7.25647","0.00018","13.0278","0.0004","17.2343","0.0005","90","","90","","90","","1629.26","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(P)-(+)-2-Aza(6)helicene","(P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0734","0.0624","","","0.1559","0.1652","","","","","","1.064","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155439","7.29278","0.00013","12.9794","0.0002","17.3679","0.0003","90","","90","","90","","1643.97","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(M)-(-)-1-Aza(6)helicene","(M)-(-)‒Benzo(5,6)phenanthro(3,4-h)quinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0478","0.0419","","","0.1093","0.1138","","","","","","1.065","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155440","5.2767","0.0002","8.2192","0.0003","29.2713","0.0011","90","","90","","90","","1269.5","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ren, Qiao; Li, Muyao; Yuan, Lujiang","Expeditious assembly of fused dihydropyranones via N-heterocyclic carbene-catalyzed tandem Michael addition/lactonization.","Organic & biomolecular chemistry","2017","15","6","1329","1333","10.1039/c6ob02449a","","","0.71073","MoKα","","0.0244","0.0222","","","0.0501","0.0515","","","","","","1.056","","","","has coordinates","193891","2020-10-21","18:00:00",""
"7155441","19.17","0.003","5.9569","0.001","7.7612","0.0014","90","","90","","90","","886.3","0.3","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0344","0.031","","","0.0796","0.0818","","","","","","1.054","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155442","10.0351","0.0011","10.0395","0.0011","10.3718","0.0011","72.048","0.001","81.272","0.001","66.178","0.001","908.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N O5 S -","- C19 H18 Cl N O5 S -","- C38 H36 Cl2 N2 O10 S2 -","2","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0297","0.0275","","","0.0716","0.0731","","","","","","1.056","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155443","12.5262","0.0012","9.5955","0.0009","16.6342","0.0015","90","","93.049","0.003","90","","1996.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl N O6 S2 -","- C18 H18 Cl N O6 S2 -","- C72 H72 Cl4 N4 O24 S8 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.073","0.0636","","","0.1779","0.1923","","","","","","1.179","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155444","10.5871","0.0009","17.4471","0.0015","7.3732","0.0006","90","","107.844","0.003","90","","1296.42","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O -","- C13 H15 Br Cl N O -","- C52 H60 Br4 Cl4 N4 O4 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.0601","0.0522","","","0.1254","0.1306","","","","","","1.092","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155445","16.674","0.003","11.067","0.002","20.438","0.004","90","","107.38","0.03","90","","3599.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 B F2 N2 S8 -","- C36 H29 B F2 N2 S8 -","- C144 H116 B4 F8 N8 S32 -","4","1","","Liu, Ping; Gao, Feng; Zhou, Lina; Chen, Yu; Chen, Zhijian","Tetrathienyl-functionalized red- and NIR-absorbing BODIPY dyes appending various peripheral substituents.","Organic & biomolecular chemistry","2017","15","6","1393","1399","10.1039/c6ob02612e","","","0.71073","MoKα","","0.1643","0.0801","","","0.1754","0.2165","","","","","","1.039","","","","has coordinates","193886","2020-10-21","18:00:00",""
"7155446","12.3105","","12.6606","","22.2312","","84.259","","81.474","","77.247","","3333.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","1","0.5","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.8","synchrotron","","0.1469","0.0997","","","0.2648","0.3091","","","","","","1.028","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155447","19.0199","0.0008","19.4285","0.0008","23.4411","0.0008","100.927","0.003","104.663","0.003","102.902","0.004","7885.4","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","2,3-bis(5,8,11,14,17-pentamesitylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)maleonitrile","","- C204 H173.84 N9.95 O2.53 -","- C204.002 H173.838 N9.946 O2.528 -","- C408.004 H347.676 N19.892 O5.056 -","2","1","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.71073","MoKα","","0.1786","0.1027","","","0.28","0.3482","","","","","","1.014","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155448","6.0454","0.0006","14.0347","0.0014","7.1416","0.0008","90","","101.033","0.003","90","","594.73","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O7 -","- C10 H13 N O7 -","- C20 H26 N2 O14 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1675","0.1101","","","0.2694","0.3029","","","","","","1.062","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155449","8.1774","0.0004","8.2158","0.0003","15.0345","0.0007","90","","98.231","0.002","90","","999.67","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 Si -","- C19 H27 N O6 Si -","- C38 H54 N2 O12 Si2 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0621","0.0635","","","","","","1.055","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155450","8.2084","0.0014","5.2477","0.0008","24.351","0.004","90","","90.768","0.005","90","","1048.8","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1589","0.1518","","","0.3679","0.3717","","","","","","1.159","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155451","7.9533","0.0006","9.1569","0.0007","11.67","0.0008","83.471","0.004","82.104","0.004","88.025","0.004","836.23","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.1096","0.061","","","0.1701","0.1981","","","","","","1.019","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155452","12.111","0.0008","10.0955","0.0007","23.0729","0.0016","90","","93.385","0.003","90","","2816.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.0939","0.0546","","","0.15","0.1783","","","","","","1.056","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155453","14.649","0.003","9.1488","0.0018","13.375","0.003","90","","102.24","0.03","90","","1751.8","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Li, Yu-Xia; Wang, Qi-Qiang; Yang, Luo","Metal-free decarbonylative alkylation-aminoxidation of styrene derivatives with aliphatic aldehydes and N-hydroxyphthalimide.","Organic & biomolecular chemistry","2017","15","6","1338","1342","10.1039/c7ob00030h","","","0.71073","MoKα","","0.0691","0.0612","","","0.1173","0.1215","","","","","","1.212","","","","has coordinates","193893","2020-10-21","18:00:00",""
"7155454","12.2397","0.0002","7.42711","0.00013","12.5508","0.0002","90","","104.05","0.001","90","","1106.8","0.03","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3,3-dimethyl-2-((S)-4-((E)-styryl)-1-tosylpyrrolidin-3-ylidene)butanenitrile","","- C9 H13 N3 O5 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Amako, Yuka; Arai, Shigeru; Nishida, Atsushi","Transfer of axial chirality through the nickel-catalysed hydrocyanation of chiral allenes.","Organic & biomolecular chemistry","2017","15","7","1612","1617","10.1039/c7ob00047b","","","1.54187","CuKα","","0.0558","0.0403","","","0.0817","0.0971","","","","","","1.087","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155455","19.746","0.008","11.173","0.004","9.393","0.004","90","","90","","90","","2072.3","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.0845","0.0461","","","0.0799","0.0932","","","","","","1.045","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155456","32.437","0.005","7.6263","0.0017","33.681","0.006","90","","98.332","0.014","90","","8244","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N S -","- C25 H21 N S -","- C400 H336 N16 S16 -","16","2","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.1883","0.0751","","","0.1764","0.2394","","","","","","0.992","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155457","9.5682","0.001","9.6574","0.001","14.765","0.0015","88.829","0.002","86.829","0.002","76.122","0.002","1322.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N O -","- C3.29412 Cl0.235294 N0.235294 O0.705882 -","- C56 Cl4 N4 O12 -","17","8.5","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1771","0.1424","","","0.3505","0.3979","","","","","","2.407","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155458","5.407","","7.782","","16.311","","96.51","","95.82","","90.74","","678.175","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7.5 H7 Cl0.5 N0.5 O1.5 -","- C15 Cl N O3 -","- C30 Cl2 N2 O6 -","2","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1285","0.117","","","0.3289","0.3514","","","","","","2.536","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155459","7.6713","0.0019","20.094","0.005","10.598","0.003","90","","94.855","0.004","90","","1627.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Br N2 O2 -","- C16 Br N2 O2 -","- C64 Br4 N8 O8 -","4","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.0981","0.0654","","","0.1837","0.2049","","","","","","1.227","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155460","7.617","0.012","10.617","0.017","11.452","0.018","64.336","0.015","72.042","0.017","88.506","0.018","788","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Guo, Shenghai; Zhai, Jianhui; Fan, Xuesen","An I2-mediated cascade reaction of 2'-bromoacetophenones with benzohydrazides/benzamides leading to quinazolino[3,2-b]cinnoline or tryptanthrin derivatives.","Organic & biomolecular chemistry","2017","15","6","1521","1529","10.1039/c6ob02699k","","","0.71073","MoKα","","0.0871","0.0682","","","0.125","0.1672","","","","","","1.053","","","","has coordinates","193885","2020-10-21","18:00:00",""
"7155461","7.993","0.004","12.54","0.005","10.604","0.004","90","","102.751","0.008","90","","1036.7","0.8","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(6-Methoxybenzofuran-2-yl)-2-nitroethanol","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","2","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","0.71073","MoKα","","0.0865","0.0657","","","0.1411","0.1532","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155462","5.5571","0.0002","5.6305","0.0002","32.3624","0.001","90","","90","","90","","1012.6","0.06","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloride substitute","(S)-1-(5-Chlorobenzofuran-2-yl)-2-nitroethanol","","- C10 H8 Cl N O4 -","- C10 H8 Cl N O4 -","- C40 H32 Cl4 N4 O16 -","4","1","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","1.54184","CuKα","","0.0232","0.0217","","","0.0544","0.0549","","","","","","1.046","","","","has coordinates","193888","2020-10-21","18:00:00",""
"7155463","26.2548","0.0011","9.6138","0.0006","17.4876","0.0007","90","","103.593","0.004","90","","4290.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-((R)-phenyl((S)-3-phenylmorpholino)methyl)naphthalen-2-ol","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C216 H200 N8 O16 -","8","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0782","0.053","","","0.1118","0.1267","","","","","","1.079","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155464","13.4796","0.0007","23.9065","0.0012","6.3744","0.0003","90","","90","","90","","2054.15","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-((R)-phenyl((R)-2-phenylpyrrolidin-1-yl)methyl)naphthalen-2-ol","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0592","0.0463","","","0.0771","0.0825","","","","","","1.127","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155465","9.8047","0.0015","11.9575","0.0013","16.3809","0.0017","90","","97.122","0.008","90","","1905.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,10R,12R)-10-isopropyl-12-phenyl-8,9,10,12-tetrahydro-7aH-naphtho[1,2-e]pyrrolo[2,1-b][1,3]oxazine","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.19","0.0761","","","0.1392","0.1791","","","","","","1.057","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155466","7.941","0.0004","32.3062","0.0015","17.2176","0.0008","90","","95.624","0.005","90","","4395.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,11R,13R)-11-benzyl-13-phenyl-7a,8,9,10,11,13-hexahydronaphtho[1,2-e]pyrido[2,1-b][1,3]oxazine","","- C29 H27 N O -","- C29 H27 N O -","- C232 H216 N8 O8 -","8","2","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.1007","0.0617","","","0.1393","0.1658","","","","","","1.042","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155467","10.415","0.002","11.469","0.002","15.047","0.003","90","","90","","90","","1797.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O5 -","- C19 H16 Br N O5 -","- C76 H64 Br4 N4 O20 -","4","1","","Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.","Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.","Organic & biomolecular chemistry","2017","15","6","1463","1474","10.1039/c6ob02637k","","","0.71073","MoKα","","0.0448","0.0422","","","0.1096","0.1249","","","","","","0.885","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155468","4.8942","0.0004","13.6964","0.001","14.1713","0.0012","90","","90","","90","","949.94","0.13","294.44","0.1","294.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1181","0.0552","","","0.0992","0.1262","","","","","","1.06","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155469","16.0871","0.0008","12.5495","0.0006","18.6772","0.0009","90","","90","","90","","3770.6","0.3","294.44","0.1","294.44","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H8 O -","- C13 H8 O -","- C208 H128 O16 -","16","2","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1424","0.0677","","","0.1485","0.1972","","","","","","1.053","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155470","16.8632","0.0005","5.6827","0.0002","20.8486","0.0006","90","","100.486","0.001","90","","1964.52","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-benzyl-4-methyl-N-(1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide","","- C23 H21 N3 O2 S -","- C23 H21 N3 O2 S -","- C92 H84 N12 O8 S4 -","4","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.043","0.0353","","","0.0832","0.087","","","","","","1.041","","","","has coordinates","193897","2020-10-21","18:00:00",""
"7155471","5.9736","0.0003","9.6554","0.0005","19.0149","0.0009","83.76","0.002","86.84","0.002","77.757","0.002","1064.86","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide","","- C24 H20 F3 N3 O2 S -","- C24 H20 F3 N3 O2 S -","- C48 H40 F6 N6 O4 S2 -","2","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.0436","0.0379","","","0.0907","0.0941","","","","","","1.026","","","","has coordinates,has disorder","193897","2020-10-21","18:00:00",""
"7155472","11.611","0.003","7.436","0.002","20.143","0.006","90","","95.124","0.004","90","","1732.2","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O3 Rh -","- C17 H14 Cl N2 O3 Rh -","- C68 H56 Cl4 N8 O12 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0459","0.0368","","","0.1014","0.1267","","","","","","1.113","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155473","7.875","0.002","16.458","0.004","12.568","0.003","90","","100.553","0.003","90","","1601.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 Cl N2 O2 Rh -","- C16 H12 Cl N2 O2 Rh -","- C64 H48 Cl4 N8 O8 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0579","0.042","","","0.0827","0.0896","","","","","","1.089","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155474","10.436","0.003","12","0.003","14.96","0.004","82.159","0.008","89.752","0.009","66.314","0.006","1697","0.8","123.2","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H7 Cl F5 N2 O2 Rh -","- C16 H7 Cl F5 N2 O2 Rh -","- C64 H28 Cl4 F20 N8 O8 Rh4 -","4","2","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0393","0.0296","","","0.0571","0.0596","","","","","","0.875","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155475","7.168","0.004","9.002","0.005","15.02","0.008","76.479","0.014","80.476","0.018","81.147","0.016","922.6","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Cl F3 N2 O2 Rh -","- C19 H11 Cl F3 N2 O2 Rh -","- C38 H22 Cl2 F6 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0556","0.0446","","","0.1025","0.1097","","","","","","1.01","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155476","8.144","0.002","9.039","0.003","9.707","0.003","97.961","0.002","106.05","0.004","95.085","0.003","674","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O Se -","- C15 H14 N2 O Se -","- C30 H28 N4 O2 Se2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0367","0.033","","","0.0817","0.0828","","","","","","1","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155477","7.0475","0.0015","9.2569","0.0018","14.015","0.003","95.006","0.002","104.313","0.0019","101.011","0.003","860.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N2 O2 Rh -","- C18 H12 Cl N2 O2 Rh -","- C36 H24 Cl2 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0308","0.0283","","","0.0716","0.0727","","","","","","1.009","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155478","5.9842","0.0001","9.104","0.0002","16.0223","0.0003","90","","90","","90","","872.9","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng","Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.","Organic & biomolecular chemistry","2017","15","17","3580","3584","10.1039/c7ob00151g","","","1.54178","CuKα","","0.0388","0.0387","","","0.1036","0.1036","","","","","","1.099","","","","has coordinates","196502","2020-10-21","18:00:00",""
"7155479","9.785","0.002","11.295","0.002","11.879","0.002","90","","97.63","0.03","90","","1301.3","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","2","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0449","0.0438","","","0.1073","0.1085","","","","","","1.071","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155480","7.4743","0.0015","9.2516","0.0019","10.829","0.002","90","","92.25","0.03","90","","748.2","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0327","0.0322","","","0.0845","0.0853","","","","","","1.055","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155481","8.8691","0.0004","9.8046","0.0005","12.4019","0.0006","99.836","0.002","102.889","0.002","94.239","0.002","1028.75","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C50 H44 N4 O4 S2 -","2","1","","Kumar Boominathan, Siva Senthil; Reddy, Mutra Mohana; Hou, Ruei-Jhih; Chen, Hui-Fen; Wang, Jeh-Jeng","A simple and efficient method for constructing azepino[4,5-b]indole derivatives via acid catalysis.","Organic & biomolecular chemistry","2017","15","8","1872","1875","10.1039/c6ob02722a","","x-ray","0.71073","MoKα","","0.0455","0.038","","","0.1037","0.1117","","","","","","1","","","","has coordinates","193883","2020-10-21","18:00:00",""
"7155482","13.8738","0.0004","16.4725","0.0005","7.3033","0.0002","90","","105.255","0.0016","90","","1610.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Hazarika, Nabajyoti; Sarmah, Barnali; Bordoloi, Manobjyoti; Phukan, Prodeep; Baishya, Gakul","Diastereoselective synthesis of tetrahydropyrans via Prins-Ritter and Prins-arylthiolation cyclization reactions.","Organic & biomolecular chemistry","2017","15","9","2003","2012","10.1039/c6ob02692c","","","0.71073","MoKα","","0.0259","0.0214","","","0.0756","0.0813","","","","","","0.697","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155483","11.751","0.005","12.712","0.005","13.46","0.005","89.482","0.005","68.529","0.005","73.872","0.005","1787.8","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O4 -","- C46 H36 N2 O4 -","- C92 H72 N4 O8 -","2","1","","Suman, Koorathota; Ramanjaneyulu, Mala; Thennarasu, Sathiah","Diastereoselective tandem oxidation/Michael/aldol reaction: unprecedented formation of dispirocyclopentanebisoxindoles and dispiro[acenaphthylene-1,1'-cyclopentane-3',1''-acenaphthylene]-2,2''diones.","Organic & biomolecular chemistry","2017","15","9","1961","1964","10.1039/c6ob02607a","","","0.71073","MoKα","","0.1185","0.0497","","","0.1188","0.1568","","","","","","1.006","","","","has coordinates","193902","2020-10-21","18:00:00",""
"7155484","4.673","0.004","7.018","0.006","13.709","0.012","77.037","0.011","86.712","0.011","86.883","0.012","437","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.0438","","","","0.1345","","","","","","0.684","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155485","11.05","0.016","15.17","0.02","18.83","0.03","90","","90","","90.198","0.018","3156","8","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O2 -","- C17.75 H15 N5.25 O2 -","- C142 H120 N42 O16 -","8","4","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.1137","","","","0.2802","","","","","","0.875","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155486","9.02","0.004","10.237","0.004","9.318","0.004","90","","117.399","0.006","90","","763.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Mukherjee, Subrata; Joseph, Sumi; Bhunia, Anup; Gonnade, Rajesh G.; Yetra, Santhivardhana Reddy; Biju, Akkattu T.","Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of enals with 3-hydroxy oxindoles.","Organic & biomolecular chemistry","2017","15","9","2013","2019","10.1039/c7ob00148g","","","0.71073","MoKα","","0.0691","0.0457","","","0.1121","0.135","","","","","","1.122","","","","has coordinates","193908","2020-10-21","18:00:00",""
"7155487","15.0818","0.0003","5.9952","0.0001","18.5272","0.0004","90","","102.281","0.002","90","","1636.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Fluoro-3-hydroxy-1,3,3-triphenylpropan-1-one","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Naveen, Naganaboina; Balamurugan, Rengarajan","Catalyst free synthesis of α-fluoro-β-hydroxy ketones/α-fluoro-ynols via electrophilic fluorination of tertiary propargyl alcohols using Selectfluor™ (F-TEDA-BF4).","Organic & biomolecular chemistry","2017","15","9","2063","2072","10.1039/c7ob00140a","","","1.54184","CuKα","","0.0472","0.0424","","","0.1172","0.1223","","","","","","1.046","","","","has coordinates","193905","2020-10-21","18:00:00",""
"7155488","4.87924","0.00005","14.43858","0.00015","20.3657","0.0002","90","","90","","90","","1434.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0538","0.0477","","","0.1217","0.1282","","","","","","1.033","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155489","4.88084","0.00006","14.45507","0.00015","20.3743","0.0002","90","","90","","90","","1437.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1346","0.1386","","","","","","1.074","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155490","9.4223","0.0006","20.649","0.0013","10.9082","0.0008","90","","105.964","0.0019","90","","2040.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.051","0.0426","","","0.1059","0.1111","","","","","","1.046","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155491","9.8767","0.0014","23.638","0.003","8.6175","0.0012","90","","102.363","0.004","90","","1965.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.053","0.0482","","","0.1255","0.1284","","","","","","1.127","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155492","14.5068","0.0011","16.0241","0.0012","7.276","0.0005","90","","96.491","0.001","90","","1680.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C96 H48 F24 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.71073","MoKα","","0.0767","0.0482","","","0.1377","0.1575","","","","","","0.999","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155493","16.244","0.006","11.619","0.004","12.748","0.005","90","","73.966","0.006","90","","2312.4","1.5","123.15","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.710747","MoKα","","0.0807","0.0579","","","0.1249","0.1384","","","","","","1.05","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155494","7.8393","0.0009","10.8367","0.0012","17.382","0.002","90","","94.666","0.005","90","","1471.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.5 H20 Cl N O2 -","- C15.5 H20 Cl N O2 -","- C62 H80 Cl4 N4 O8 -","4","1","","Yang, Yanxin; Yan, Linfan; Xie, Qinyu; Liang, Qiuming; Song, Datong","Zwitterionic indenylammonium with carbon-centred reactivity towards reversible CO2 binding and catalytic reduction.","Organic & biomolecular chemistry","2017","15","10","2240","2245","10.1039/c7ob00364a","","","0.71073","MoKα","","0.1588","0.0664","","","0.1285","0.1635","","","","","","1.012","","","","has coordinates","195167","2020-10-21","18:00:00",""
"7155495","6.3758","0.0004","12.4522","0.0007","14.7628","0.001","90","0.005","79.702","0.006","90","0.005","1153.18","0.13","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C56 H36 N12 O8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1536","0.0678","","","0.1177","0.1505","","","","","","1.045","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155496","9.5475","0.0013","4.7592","0.0005","12.4973","0.0018","90","","103.477","0.013","90","","552.22","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.0629","0.0454","","","0.0953","0.1085","","","","","","1.01","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155497","3.8983","0.0005","26.209","0.003","11.0333","0.0011","90","","96.286","0.011","90","","1120.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.2615","0.1109","","","0.2407","0.3247","","","","","","0.967","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155498","16.0372","0.0012","3.9616","0.0003","18.8895","0.0014","90","0.005","101.354","0.006","90","0.005","1176.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1164","0.0547","","","0.111","0.1419","","","","","","1.03","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155499","3.9286","0.0004","11.3555","0.0015","13.3245","0.0015","78.536","0.011","83.012","0.009","81.083","0.01","572.98","0.12","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C28 H18 N6 O4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1494","0.0664","","","0.1224","0.1694","","","","","","1.026","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155500","9.5607","0.0009","10.284","0.001","10.9413","0.001","100.114","0.004","114.21","0.004","102.16","0.004","916.8","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","2-Methoxy-4'-phenyl-[1,1':2',1''-terphenyl]-3'-ol (9d)","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Maezono, Shizuka Mei Bautista; Poudel, Tej Narayan; Lee, Yong Rok","One-pot construction of sterically challenging and diverse polyarylphenols via transition-metal-free benzannulation and their potent in vitro antioxidant activity.","Organic & biomolecular chemistry","2017","15","9","2052","2062","10.1039/c7ob00078b","","","0.71073","MoKα","","0.0621","0.0429","","","0.1164","0.1258","","","","","","1.069","","","","has coordinates","193907","2020-10-21","18:00:00",""
"7155501","9.688","0.0003","21.3581","0.0008","14.0274","0.0005","90","","106.82","0.001","90","","2778.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N5 O9 -","- C25 H24 Br N5 O9 -","- C100 H96 Br4 N20 O36 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0676","0.0443","","","0.1076","0.1217","","","","","","1.032","","","","has coordinates","195166","2020-10-21","18:00:00",""
"7155502","16.88","0.003","7.9527","0.0015","21.255","0.004","90","","90","","90","","2853.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0498","0.0336","","","0.0791","0.0897","","","","","","1.032","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155503","5.6319","0.0014","11.918","0.003","14.202","0.004","80.529","0.006","81.438","0.006","78.19","0.006","913.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0898","0.0601","","","0.1936","0.2489","","","","","","1.018","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155504","9.8839","0.0004","9.9233","0.0004","13.1134","0.0005","109.219","0.004","93.721","0.003","115.017","0.004","1068.78","0.09","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 B Fe N O4 -","- C24 H28 B Fe N O4 -","- C48 H56 B2 Fe2 N2 O8 -","2","1","","Goggins, Sean; Apsey, Ellen A.; Mahon, Mary F.; Frost, Christopher G.","Ratiometric electrochemical detection of hydrogen peroxide and glucose.","Organic & biomolecular chemistry","2017","15","11","2459","2466","10.1039/c7ob00211d","","","1.54184","CuKα","","0.0439","0.0421","","","0.1088","0.1112","","","","","","1.033","","","","has coordinates","195173","2020-10-21","18:00:00",""
"7155505","7.8685","0.0004","15.9375","0.0007","10.112","0.0004","90","","102.539","0.005","90","","1237.84","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl 2-((4-nitrophenyl)amino)malonate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water.","Organic & biomolecular chemistry","2017","15","11","2392","2396","10.1039/c7ob00177k","","","0.71073","MoKα","","0.0665","0.047","","","0.1224","0.1374","","","","","","1.038","","","","has coordinates","195176","2020-10-21","18:00:00",""
"7155506","8.496","0.006","11.107","0.008","9.921","0.007","90","","95.155","0.012","90","","932.4","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.","Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.","Organic & biomolecular chemistry","2017","15","11","2422","2435","10.1039/c6ob02537d","","","0.71073","MoKα","","0.064","0.0412","","","0.0819","0.0888","","","","","","1.022","","","","has coordinates","195175","2020-10-21","18:00:00",""
"7155507","25.356","0.003","6.9395","0.0009","7.4967","0.0011","90","","90","","90","","1319.1","0.3","123.15","","123.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","0.5","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.1037","0.0898","","","0.2118","0.2207","","","","","","1.092","","","","has coordinates","195169","2020-10-21","18:00:00",""
"7155508","20.0339","0.0013","8.9046","0.0007","13.8902","0.001","90","","122.816","0.002","90","","2082.5","0.3","123","","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 F12 N2 O3 -","- C21 H8 F12 N2 O3 -","- C84 H32 F48 N8 O12 -","4","1","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.057","0.0466","","","0.1179","0.1254","","","","","","1.053","","","","has coordinates,has disorder","195169","2020-10-21","18:00:00",""
"7155509","6.9949","0.0009","10.2229","0.0014","15.438","0.002","90","","95.443","0.003","90","","1099","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O S -","- C28 H25 N O S -","- C56 H50 N2 O2 S2 -","2","1","","Zhang, Xuxue; Wu, Mingsheng; Zhang, Juan; Cao, Song","Synthesis of N,N-disubstituted 2-aminothiophenes by the cyclization of gem-difluoroalkenes with β-keto thioamides.","Organic & biomolecular chemistry","2017","15","11","2436","2442","10.1039/c7ob00368d","","","0.71073","MoKα","","0.0499","0.0367","","","0.0801","0.0862","","","","","","1.023","","","","has coordinates","195174","2020-10-21","18:00:00",""
"7155510","5.6825","0.0003","14.2013","0.0007","11.4613","0.0006","90","","94.933","0.002","90","","921.49","0.08","150","2","150","2","","","","","","","Sarcophyton stellatum","3","P 1 21 1","P 2yb","4","","(‒)-(2R,7R,8R)-Sarcophytoxide","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim","Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.","Organic & biomolecular chemistry","2017","15","12","2593","2608","10.1039/c7ob00191f","","","1.54178","CuKα","","0.0265","0.0264","","","0.0747","0.0747","","","","","","1.048","","","","has coordinates","195180","2020-10-21","18:00:00",""
"7155511","11.8164","0.0018","9.2321","0.0011","11.9043","0.0019","90","","110.492","0.003","90","","1216.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O3 S -","- C12 H14 O3 S -","- C48 H56 O12 S4 -","4","2","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0578","0.0414","","","0.0967","0.1063","","","","","","1.068","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155512","7.8117","0.001","12.6388","0.0016","16.816","0.002","90","","90","","90","","1660.3","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0476","0.0352","","","0.0775","0.0819","","","","","","1.051","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155513","7.8064","0.0014","12.6377","0.0019","16.783","0.003","90","","90","","90","","1655.7","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0619","0.0401","","","0.0826","0.0895","","","","","","1.043","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155514","7.5086","0.0002","20.531","0.0005","20.0462","0.0005","90","","97.9726","0.0015","90","","3060.43","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(tert-butyl)-2-(9-(2-(cyclopentylamino)-2-oxoethyl)-3,10-dioxo-4,9-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-yl)acetamide","","- C63 H80 N8 O9 -","- C63 H80 N8 O9 -","- C126 H160 N16 O18 -","2","0.5","","Pérez-Labrada, Karell; Cruz-Mendoza, Marco A; Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Torroba, Tomás; Miranda, Luis D.","Diversity-oriented synthesis and cytotoxic activity evaluation of biaryl-containing macrocycles.","Organic & biomolecular chemistry","2017","15","11","2450","2458","10.1039/c6ob02726a","","","1.54178","CuKα","","0.1764","0.1513","","","0.3364","0.3543","","","","","","1.197","","","","has coordinates,has disorder","195177","2020-10-21","18:00:00",""
"7155515","6.2179","0.0003","10.0744","0.0004","10.4155","0.0005","90","","107.042","0.005","90","","623.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O5 S -","- C9 H15 N O5 S -","- C18 H30 N2 O10 S2 -","2","1","","Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei","Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides.","Organic & biomolecular chemistry","2017","15","12","2647","2654","10.1039/c7ob00021a","","x-ray","0.71073","MoKα","","0.035","0.0325","","","0.0771","0.0791","","","","","","1.066","","","","has coordinates","195184","2020-10-21","18:00:00",""
"7155516","19.0072","0.0009","19.0072","0.0009","5.7243","0.0003","90","","90","","120","","1790.97","0.15","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C10 H10 O -","- C10 H10 O -","- C90 H90 O9 -","9","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0812","0.0773","","","0.2082","0.2129","","","","","","1.121","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155517","4.6462","0.0002","9.7488","0.0003","19.6719","0.0006","90","","90","","90","","891.04","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0461","0.0461","","","0.1384","0.1385","","","","","","1.203","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155518","10.848","0.002","8.1961","0.0016","15.304","0.003","90","","103.597","0.003","90","","1322.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Wang, Liang; Li, Xuehu; Tao, Hua; Zhou, Xiang; Lu, Xihong; Du, Wenyue; Jiang, Tingting; Xin, Zhijun; Liang, Jianping","Palladium-catalyzed intermolecular tandem cyclization reaction: a highly regioselective synthesis of functionalized 3H-spiro[isobenzofuran-1,3'-isochroman] scaffolds.","Organic & biomolecular chemistry","2017","15","11","2403","2410","10.1039/c6ob02802k","","","0.71073","MoKα","","0.0455","0.0412","","","0.1179","0.1227","","","","","","1.005","","","","has coordinates","195178","2020-10-21","18:00:00",""
"7155519","5.8794","0.0004","7.4664","0.0007","15.5877","0.0015","92.948","0.008","93.41","0.007","110.44","0.008","638.14","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang","N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis.","Organic & biomolecular chemistry","2017","15","13","2721","2724","10.1039/c7ob00142h","","x-ray","1.54184","CuKα","","0.075","0.0663","","","0.1641","0.1779","","","","","","1.065","","","","has coordinates","195171","2020-10-21","18:00:00",""
"7155520","10.82","0.004","17.17","0.02","10.534","0.005","90","","105.49","0.04","90","","1886","2","290.55","0.1","290.55","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Liu, Chen-Fei; Zhang, Guo-Tai; Sun, Jun-Shu; Dong, Lin","Access to π-conjugated azaindole derivatives via rhodium(iii)-catalyzed cascade reaction of azaindoles and diazo compounds.","Organic & biomolecular chemistry","2017","15","14","2902","2905","10.1039/c7ob00059f","","x-ray","0.71073","MoKα","","0.1235","0.076","","","0.206","0.2518","","","","","","1.022","","","","has coordinates","196511","2020-10-21","18:00:00",""
"7155521","7.1265","0.0007","28.922","0.003","11.2917","0.001","90","","106.228","0.001","90","","2234.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound (+) 14d","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","2","","Carella, Andrea; Ramos Ferronatto, Gabriel; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Paolucci, Claudio","Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph.","Organic & biomolecular chemistry","2017","15","14","2968","2978","10.1039/c6ob02765b","","","0.71073","MoKα","","0.1279","0.0933","","","0.246","0.2878","","","","","","0.879","","","","has coordinates","196514","2020-10-21","18:00:00",""
"7155522","8.1053","0.0011","10.2013","0.0013","14.6738","0.0019","74.381","0.003","81.572","0.003","79.622","0.003","1143.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Br O2 -","- C29 H21 Br O2 -","- C58 H42 Br2 O4 -","2","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0812","0.0517","","","0.1353","0.15","","","","","","1.025","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155523","10.1572","0.0014","9.7577","0.0014","21.796","0.003","90","","98.391","0.003","90","","2137.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0713","0.0437","","","0.1035","0.1149","","","","","","1.033","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155524","9.3577","0.0008","11.409","0.0009","11.7512","0.0008","63.086","0.002","75.619","0.002","69.263","0.002","1040.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C44 H40 F4 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.0611","0.0473","","","0.1178","0.1263","","","","","","1.031","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155525","10.797","0.013","11.711","0.015","12.514","0.015","113.344","0.017","96.823","0.019","113.413","0.019","1259","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.1161","0.0995","","","0.2702","0.2767","","","","","","1.165","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155526","12.4653","0.0016","8.3351","0.0011","16.192","0.002","90","","110.902","0.002","90","","1571.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S)-4-(4-chlorobenzoyl)-2-methylhexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C68 H68 Cl4 N8 O12 -","4","1","","Reddy, Chada Narsimha; Sathish, Manda; Adhikary, Susanta; Nanubolu, Jagadeesh Babu; Alarifi, Abdullah; Maurya, Ram Awatar; Kamal, Ahmed","Phenacyl azides as efficient intermediates: one-pot synthesis of pyrrolidines and imidazoles.","Organic & biomolecular chemistry","2017","15","13","2730","2733","10.1039/c7ob00299h","","","0.71073","MoKα","","0.0558","0.0463","","","0.1279","0.1368","","","","","","1.038","","","","has coordinates","195170","2020-10-21","18:00:00",""
"7155527","10.433","0.002","11.252","0.002","11.15","0.002","90","","101.21","0.03","90","","1283.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0656","0.0514","","","0.1057","0.1141","","","","","","1.05","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155528","6.953","0.0014","11.068","0.002","16.703","0.003","90","","90","","90","","1285.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0551","0.0418","","","0.0923","0.0992","","","","","","0.995","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155529","10.3207","0.0002","17.168","0.0004","10.4198","0.0002","90","","96.038","0.001","90","","1836","0.07","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl (1-((3r,5r,7r)-adamantan-1-yl)but-3-en-1-yl)carbamate","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","x-ray","1.54178","CuKα","","0.0326","0.0323","","","0.0897","0.09","","","","","","1.058","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155530","10.6735","0.0007","11.9007","0.0008","14.2306","0.0009","90","","90","","90","","1807.6","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-((3r,5r,7r)-adamantan-1-yl)-6-(bromomethyl)-2-(tert-butoxy)-5,6-dihydro-4H-1,3-oxazine","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0379","0.0298","","","0.0651","0.068","","","","","","1.007","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155531","8.3872","0.0017","10.676","0.002","28.705","0.006","90","","90","","90","","2570.3","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.1119","0.0784","","","0.1837","0.1994","","","","","","1.081","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155532","14.4594","0.0015","5.6092","0.0006","15.0823","0.0015","90","","105.035","0.002","90","","1181.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Mtiraoui, Hasan; Renault, Kevin; Sanselme, Morgane; Msaddek, Moncef; Renard, Pierre-Yves; Sabot, Cyrille","Metal-free oxidative ring contraction of benzodiazepinones: an entry to quinoxalinones.","Organic & biomolecular chemistry","2017","15","14","3060","3068","10.1039/c7ob00205j","","x-ray","0.71073","MoKα","","0.0457","0.0417","","","0.1096","0.1131","","","","","","1.073","","","","has coordinates","196513","2020-10-21","18:00:00",""
"7155533","8.2056","0.0001","11.9665","0.0002","13.8857","0.0002","90","","90","","90","","1363.47","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(7S,8aS)-octahydro-5,5-dimethylindolizin-7-ol 9, acetic acid salt monohydrate","","- C12 H25 N O4 -","- C12 H25 N O4 -","- C48 H100 N4 O16 -","4","1","","Zhang, Jing; Kolluri, Rao; Alvarez, Salvador G.; Irving, Mark M.; Singh, Rajinder; Duncton, Matthew A. J.","Enantioselective synthesis of an octahydroindolizine (indolizidine) alcohol using an enzymatic resolution.","Organic & biomolecular chemistry","2017","15","14","2953","2961","10.1039/c7ob00192d","","","1.54178","CuKα","","0.0388","0.038","","","0.1016","0.1031","","","","","","1.079","","","","has coordinates","196512","2020-10-21","18:00:00",""
"7155534","12.8722","0.0005","6.6204","0.0002","20.7083","0.0008","90","","92.069","0.002","90","","1763.59","0.11","110.15","","110.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate","","- C18 H19 N O7 S -","- C18 H19 N O7 S -","- C72 H76 N4 O28 S4 -","4","2","","Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel","Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.","Organic & biomolecular chemistry","2017","15","15","3179","3183","10.1039/c6ob02738e","","","1.54178","CuKα","","0.0428","0.037","","","0.0966","0.1092","","","","","","1.116","","","","has coordinates,has disorder","196518","2020-10-21","18:00:00",""
"7155535","15.0497","0.0007","11.1392","0.0005","16.514","0.005","90","","90","","90","","2768.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Methyl-2-nitro-7,8-dihydro-5H-benzo[i]pyrido[3,2-b][1,4,7]oxadiazecin-9(6H)-one","","- C15 H14 N4 O4 -","- C15 H13 N4 O4 -","- C120 H104 N32 O32 -","8","1","","Sapegin, Alexander; Osipyan, Angelina; Krasavin, Mikhail","Structurally diverse arene-fused ten-membered lactams accessed via hydrolytic imidazoline ring expansion.","Organic & biomolecular chemistry","2017","15","14","2906","2909","10.1039/c7ob00535k","","","0.71073","MoKα","","0.0532","0.0415","","","0.0967","0.1032","","","","","","1.062","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155537","21.0174","0.0006","9.9144","0.0002","26.3443","0.0008","90","","104.108","0.003","90","","5323.9","0.3","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H19 Cl9 O6 -","- C77 H19 Cl9 O6 -","- C308 H76 Cl36 O24 -","4","1","","Wang, Jun-Jie; Lin, Hao-Sheng; Niu, Chuang; Wang, Guan-Wu","The cyclopropanation of [60]fullerobenzofurans via electrosynthesis.","Organic & biomolecular chemistry","2017","15","15","3248","3254","10.1039/c7ob00463j","","","1.54184","CuKα","","0.1249","0.0977","","","0.2206","0.241","","","","","","1.093","","","","has coordinates,has disorder","196523","2020-10-21","18:00:00",""
"7155538","12.4334","0.0005","10.216","0.0004","16.6743","0.0007","90","","99.832","0.004","90","","2086.86","0.15","293","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3i","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zhang, Zhen; Li, Cheng; Wang, Shao-Hua; Zhang, Fu-Min; Han, Xue; Tu, Yong-Qiang; Zhang, Xiao-Ming","Tandem SN2' nucleophilic substitution/oxidative radical cyclization of aryl substituted allylic alcohols with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2017","15","15","3239","3247","10.1039/c7ob00620a","","","0.7107","MoKα","","0.0796","0.0546","","","0.1282","0.1468","","","","","","1.029","","","","has coordinates","196517","2020-10-21","18:00:00",""
"7155539","11.4563","0.0005","18.7494","0.0008","9.4799","0.0003","90","","90.253","0.003","90","","2036.25","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.0901","0.0644","","","0.1618","0.1772","","","","","","1.033","","","","has coordinates","196522","2020-10-21","18:00:00",""
"7155540","12.7853","0.0006","15.0292","0.0008","19.3138","0.0013","90","","107.062","0.006","90","","3547.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 O2 -","- C40 H48 N4 O2 -","- C160 H192 N16 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.1347","0.0709","","","0.1481","0.1756","","","","","","1.027","","","","has coordinates,has disorder","196522","2020-10-21","18:00:00",""
"7155541","11.776","0.0009","8.4171","0.0006","13.9685","0.0011","90","","114.786","0.003","90","","1257.01","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-dimethoxy-2-((R)-2-nitro-1-phenylethyl)phenyl ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C26 H31 N O8 S -","- C26 H31 N O8 S -","- C52 H62 N2 O16 S2 -","2","1","","Han, Xiaoyu; Ye, Can; Chen, Fenfen; Chen, Qu; Wang, Yongjiang; Zeng, Xiaofei","A highly enantioselective Friedel-Crafts reaction of 3,5-dimethoxylphenol with nitroolefins mediated by a bifunctional quinine derived thiourea catalyst.","Organic & biomolecular chemistry","2017","15","16","3401","3407","10.1039/c7ob00372b","","","0.71073","MoKα","","0.0463","0.0428","","","0.103","0.1124","","","","","","1.144","","","","has coordinates","196509","2020-10-21","18:00:00",""
"7155542","10.0601","0.0008","15.2849","0.0012","15.3621","0.0011","90","","90.477","0.003","90","","2362.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-(1R,2S)-Diethyl 3,3,3-trifluoro-1,2-dihydroxypropylphosphonate","","- C7 H14 F3 O5 P -","- C7 H14 F3 O5 P -","- C56 H112 F24 O40 P8 -","8","2","","Pallitsch, K.; Schweifer, A.; Roller, A.; Hammerschmidt, F.","Towards the biodegradation pathway of fosfomycin.","Organic & biomolecular chemistry","2017","15","15","3276","3285","10.1039/c7ob00546f","","x-ray","0.71073","MoKα","","0.0725","0.0657","","","0.1566","0.1615","","","","","","1.084","","","","has coordinates,has disorder","196519","2020-10-21","18:00:00",""
"7155543","8.1889","0.0003","10.3419","0.0005","10.9166","0.0004","105.058","0.004","98.466","0.003","99.563","0.003","862.59","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Domino reaction of cyclic sulfamidate imines with Morita-Baylis-Hillman acetates promoted by DABCO: a metal-free approach to functionalized nicotinic acid derivatives.","Organic & biomolecular chemistry","2017","15","15","3286","3297","10.1039/c7ob00240h","","","0.71073","MoKα","","0.0967","0.0624","","","0.1619","0.1867","","","","","","1.07","","","","has coordinates","196520","2020-10-21","18:00:00",""
"7155544","12.74606","0.00016","10.64439","0.00015","19.7255","0.0003","90","","98.7804","0.0013","90","","2644.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl N2 P Ru -","- C27 H42 Cl N2 P Ru -","- C108 H168 Cl4 N8 P4 Ru4 -","4","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.034","0.0285","","","0.0598","0.0626","","","","","","1.051","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155545","10.128","0.003","12.566","0.003","13.275","0.004","83.199","0.005","84.143","0.005","68.651","0.004","1559.3","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 N2 Na P Ru -","- C33 H48 N2 Na P Ru -","- C66 H96 N4 Na2 P2 Ru2 -","2","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.077","0.0557","","","0.1317","0.1425","","","","","","0.982","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155546","10.9813","0.0014","26.815","0.004","14.946","0.002","90","","90.512","0.013","90","","4400.9","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N4 O4 S2 -","- C51 H44 N4 O4 S2 -","- C204 H176 N16 O16 S8 -","4","1","","Zhao, Yingying; Hu, Yancheng; Li, Xincheng; Wan, Boshun","Tf2NH-catalyzed formal [3 + 2] cycloaddition of oxadiazolones with ynamides: a simple access to aminoimidazoles.","Organic & biomolecular chemistry","2017","15","16","3413","3417","10.1039/c7ob00701a","","","0.71073","MoKα","","0.2753","0.0814","","","0.1463","0.228","","","","","","0.947","","","","has coordinates","196508","2020-10-21","18:00:00",""
"7155549","13.8048","0.0003","15.2327","0.0003","15.2102","0.0004","90","","90","","90","","3198.47","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.","Organic & biomolecular chemistry","2017","15","17","3638","3647","10.1039/c7ob00367f","","","1.54184","CuKα","","0.0443","0.0385","","","0.1018","0.1066","","","","","","1.054","","","","has coordinates","196505","2020-10-21","18:00:00",""
"7155550","5.7144","0.0013","12.03","0.003","12.5875","0.0012","92.05","0.014","92.677","0.013","90.37","0.02","863.8","0.3","198","15","198","15","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F O S -","- C22 H15 F O S -","- C44 H30 F2 O2 S2 -","2","1","","Yang, Xiaodong; Yan, Rulong","A method for accessing sulfanylfurans from homopropargylic alcohols and sulfonyl hydrazides.","Organic & biomolecular chemistry","2017","15","17","3571","3574","10.1039/c7ob00566k","","x-ray","0.71073","MoKα","","0.1215","0.0619","","","0.1214","0.1656","","","","","","1.061","","","","has coordinates","196506","2020-10-21","18:00:00",""
"7155551","8.8343","0.0004","10.9242","0.0005","10.9439","0.0005","103.635","0.002","97.925","0.002","91.114","0.002","1015.12","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-diethyl 1-acetyl-5-benzylidene-4-(trifluoromethyl)pyrrolidine-2,2-dicarboxylate","","- C20 H22 F3 N O5 -","- C20 H22 F3 N O5 -","- C40 H44 F6 N2 O10 -","2","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0699","0.0476","","","0.127","0.1526","","","","","","1.073","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155552","10.7953","0.001","21.8368","0.0019","9.4439","0.0008","90","","113.58","0.002","90","","2040.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl 2-acetamido-2-(2-(difluoromethylene)-4-phenylbut-3-yn-1-yl)malonate","","- C20 H21 F2 N O5 -","- C20 H21 F2 N O5 -","- C80 H84 F8 N4 O20 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0788","0.0449","","","0.1094","0.1313","","","","","","1.028","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155553","5.6783","0.0002","18.1808","0.0007","34.1983","0.0014","90","","90","","90","","3530.5","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Lian, Xiao-Lei; Adili, Alafate; Liu, Bin; Tao, Zhong-Lin; Han, Zhi-Yong","Enantioselective [4 + 1] cycloaddition of ortho-quinone methides and bromomalonates under phase-transfer catalysis.","Organic & biomolecular chemistry","2017","15","17","3670","3673","10.1039/c7ob00484b","","","1.54184","CuKα","","0.0592","0.0542","","","0.1417","0.1465","","","","","","1.034","","","","has coordinates","196500","2020-10-21","18:00:00",""
"7155560","11.8441","0.0004","11.9103","0.0005","13.4579","0.0005","90","","90","","90","","1898.46","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Chung, Min-Ching; Chan, Yung-Hsiang; Chang, Wen-Jung; Hou, Duen-Ren","Synthesis of 2,3-dihydro-1H-pyrroles by intramolecular cyclization of N-(3-butynyl)-sulfonamides.","Organic & biomolecular chemistry","2017","15","17","3783","3790","10.1039/c7ob00528h","","","0.71073","MoKα","","0.0544","0.0379","","","0.0808","0.0882","","","","","","1.027","","","","has coordinates","196501","2020-10-21","18:00:00",""
"7155561","9.35","0.004","8.514","0.003","18.643","0.007","90","","103.789","0.018","90","","1441.3","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71073","MoKα","","0.0928","0.0536","","","0.1183","0.1503","","","","","","0.975","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7155562","7.199","0.003","13.738","0.005","30.836","0.012","90","","90","","90","","3050","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71075","MoKα","","0.0625","0.0539","","","0.1276","0.1344","","","","","","1.017","","","","has coordinates","196504","2020-10-21","18:00:00",""
"7155563","12.0052","0.001","9.6664","0.0006","15.8157","0.0012","90","","96.318","0.008","90","","1824.2","0.2","105.3","","105.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0456","0.0404","","","0.107","0.1142","","","","","","1.036","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155564","9.9108","0.0003","9.8191","0.0003","18.3013","0.0006","90","","91.679","0.003","90","","1780.23","0.1","104.6","","104.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0597","0.0579","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155570","5.5901","0.0001","10.1207","0.0002","40.4585","0.0008","90","","90","","90","","2288.97","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Ethyl 4-(4-iodophenyl)-1-(4-methoxybenzyl)-2-methyl-1,4-dihydroquinoline-3-carboxylate","","- C27 H26 I N O3 -","- C27 H26 I N O3 -","- C108 H104 I4 N4 O12 -","4","1","","Hodík, Tomáš; Schneider, Christoph","Brønsted acid-catalyzed, enantioselective synthesis of 1,4-dihydroquinoline-3-carboxylates via in situ generated ortho-quinone methide imines.","Organic & biomolecular chemistry","2017","15","17","3706","3716","10.1039/c7ob00488e","","x-ray","0.71073","MoKα","","0.0298","0.0262","","","0.0496","0.0509","","","","","","1.052","","","","has coordinates","196503","2020-10-21","18:00:00",""
"7155608","18.0647","0.0012","10.9779","0.0008","15.0137","0.001","90","","109.868","0.008","90","","2800.2","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","anti-5,17-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,20-dimethoxy[2.6]metacyclophane","","- C32 H46 O3 -","- C32 H46 O3 -","- C128 H184 O12 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2006","0.145","","","0.3909","0.4263","","","","","","1.417","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155609","18.51","0.0018","11.9741","0.0012","14.7028","0.0015","90","","113.069","0.008","90","","2998.1","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O2 -","- C34 H50 O2 -","- C136 H200 O8 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2485","0.1471","","","0.3076","0.3461","","","","","","1.371","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155610","10.8892","0.0005","14.598","0.0006","17.6382","0.0008","90","","91.421","0.006","90","","2802.9","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-5,17-di-tert-butyl-8,20-dimethoxy-1,2-dimethyl[2.6]metacyclophan-1-ene","","- C32 H46 O2 -","- C32 H46 O2 -","- C128 H184 O8 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.1669","0.1036","","","0.245","0.2843","","","","","","1.033","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155611","9.78317","0.00018","17.0949","0.0003","18.4711","0.0004","90","","104.725","0.007","90","","2987.69","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O3 -","- C34 H50 O3 -","- C136 H200 O12 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.0595","0.047","","","0.1049","0.116","","","","","","1.077","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155612","8.109","0.0002","9.145","0.0002","9.2939","0.0002","90","","96.4248","0.0006","90","","684.88","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C32 H40 N4 O2 -","2","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0258","0.0254","","","0.0657","0.0662","","","","","","1.045","","","","has coordinates","196255","2020-10-21","18:00:00",""
"7155613","5.8639","0.0001","8.5853","0.0002","29.2551","0.0006","90","","90","","90","","1472.8","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0361","0.0354","","","0.0902","0.0909","","","","","","1.253","","","","has coordinates,has disorder","196255","2020-10-21","18:00:00",""
"7155614","15.1844","0.0005","20.725","0.0006","6.8775","0.0002","90","","100.961","0.001","90","","2124.84","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H11 B0.5 F N O0.5 -","- C13.5 H11 B0.5 F N O0.5 -","- C108 H88 B4 F8 N8 O4 -","8","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0501","0.045","","","0.1214","0.1271","","","","","","1.029","","","","has coordinates","196256","2020-10-21","18:00:00",""
"7155615","8.3338","0.0009","12.5679","0.0014","14.0639","0.0016","87.509","0.005","81.274","0.005","75.494","0.005","1409.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C62.5 H59 B2 Cl F4 N4 O8 -","2","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0945","0.0822","","","0.2314","0.2449","","","","","","1.081","","","","has coordinates,has disorder","196256","2020-10-21","18:00:00",""
"7157220","6.07381","0.00017","10.7631","0.0003","19.448","0.0005","90","","90","","90","","1271.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.0278","0.0258","","","0.064","0.0649","","","","","","1.021","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157221","16.2237","0.0016","5.6641","0.0003","16.3505","0.0013","90","","119.308","0.012","90","","1310.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1168","0.0565","","","0.1006","0.1186","","","","","","1.024","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157222","6.3732","0.0003","12.03","0.0007","12.4738","0.0006","67.624","0.005","79.476","0.004","87.476","0.005","869.13","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C38 H28 F10 Fe2 N2 O2 S2 -","2","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1048","0.0553","","","0.1097","0.1262","","","","","","1.011","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157223","28.9645","0.0011","9.2222","0.0004","13.5088","0.0006","90","","102.331","0.004","90","","3525.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C152 H112 F40 Fe8 N8 O8 S8 -","8","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.089","0.0506","","","0.0967","0.1089","","","","","","1.012","","","","has coordinates","235724","2020-10-21","18:00:00",""