# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-05T05:00:44+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 = 10 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
"7152101","6.393","0.013","9.37","0.02","26.44","0.06","90","","92.38","0.02","90","","1582","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N O3 -","- C16 H11 Cl2 N O3 -","- C64 H44 Cl8 N4 O12 -","4","1","","Lu, Shen-Ci; Wang, Wei-Xia; Gao, Pan-Liang; Zhang, Wei; Tu, Zhi-Feng","Photoinduced chlorine atom-transfer cyclization/photohydrolysis of 3-acyl-2-chloro-N-(ω-phenylalkynyl)pyrroles: a one-pot synthesis of benzoyl-substituted fused pyrroles.","Organic & biomolecular chemistry","2012","10","2","232","235","10.1039/c1ob05954h","","","0.71073","MoKα","","0.3128","0.1024","","","0.1659","0.2454","","","","","","0.958","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152102","14.3728","0.0002","14.5231","0.0002","14.9321","0.0003","66.097","0.001","62.095","0.001","73.914","0.001","2503.44","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 N10 O13 -","- C53 H54 N10 O13 -","- C106 H108 N20 O26 -","2","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.1033","0.0575","","","0.1217","0.1416","","","","","","1.03","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152103","8.0009","0.0002","25.2757","0.0005","12.9386","0.0003","90","","92.918","0.001","90","","2613.16","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N5 O8 -","- C27 H31 N5 O8 -","- C108 H124 N20 O32 -","4","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.046","0.0366","","","0.0816","0.0866","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152104","11.8038","0.0004","16.2989","0.0005","19.3777","0.0008","90","","105.682","0.002","90","","3589.3","0.2","132","2","132","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S2 -","- C22 H15 N O S2 -","- C176 H120 N8 O8 S16 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.1403","0.0844","","","0.18","0.2007","","","","","","1.176","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152105","8.7105","0.0006","8.3893","0.0006","41.097","0.003","90","","90","","90","","3003.2","0.4","132","2","132","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl N2 O2 S -","- C17 H13 Cl N2 O2 S -","- C136 H104 Cl8 N16 O16 S8 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.0746","0.0562","","","0.1334","0.143","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152106","7.723","0.002","9.374","0.004","24.947","0.007","90","","95.26","0.03","90","","1798.4","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.052","0.0391","","","0.1006","0.1074","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152107","10.8844","0.0004","14.3626","0.0006","15.4658","0.001","113.395","0.003","103.121","0.003","99.252","0.002","2074.15","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 Dy N8 O10 -","- C31 H58 Cl3 Dy N8 O10 -","- C62 H116 Cl6 Dy2 N16 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0593","0.062","","","","","","1.056","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152108","11.1524","0.0006","13.9136","0.0007","15.2106","0.0012","110.878","0.003","103.133","0.003","100.034","0.002","2061.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 N8 Nd O10 -","- C31 H58 Cl3 N8 Nd O10 -","- C62 H116 Cl6 N16 Nd2 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0347","0.0269","","","0.0615","0.0647","","","","","","1.069","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152109","10.8916","0.0005","14.362","0.0006","15.4604","0.001","113.338","0.002","103.205","0.003","99.22","0.002","2075","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl3 N8 O10 Tb -","- C31 H57 Cl3 N8 O10 Tb -","- C62 H114 Cl6 N16 O20 Tb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0263","0.0224","","","0.0574","0.0598","","","","","","1.066","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152110","10.8858","0.0005","14.3185","0.0006","15.4483","0.0007","113.484","0.002","102.767","0.002","99.404","0.002","2067","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 Cl3 N8 O10 Yb -","- C31 H53 Cl3 N8 O10 Yb -","- C62 H106 Cl6 N16 O20 Yb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0431","0.0303","","","0.0631","0.0683","","","","","","1.063","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152111","12.828","0.002","11.141","0.002","16.665","0.003","90","","103.208","0.01","90","","2318.7","0.7","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 F2 N2 O -","- C30 H22 F2 N2 O -","- C120 H88 F8 N8 O4 -","4","1","","Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes.","Organic & biomolecular chemistry","2012","10","4","773","781","10.1039/c1ob06187a","","","0.71073","MoKα","","0.0332","0.0285","","","0.0599","0.0606","","","","","","1.043","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152113","10.3225","0.0007","11.2447","0.0008","16.7681","0.0011","90","","114.116","0.004","90","","1776.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Li, Ping; Teng, Bo-Tao; Jin, Fa-Gen; Li, Xin-Sheng; Zhu, Wei-Dong; Xie, Jian-Wu","Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles.","Organic & biomolecular chemistry","2012","10","2","244","247","10.1039/c1ob06318a","","","0.71073","MoKα","","","0.0483","","","0.1209","0.1477","","","","","","1.01","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152114","6.2773","0.0003","9.4898","0.0006","10.1036","0.0006","90","","90","","90","","601.87","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0292","0.0264","","0.0332","0.0301","0.0301","","","","","","1.0409","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152115","6.7114","0.0003","10.2593","0.0004","17.4506","0.0007","90","","90","","90","","1201.55","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0287","0.0253","","0.0355","0.0305","0.0305","","","","","","1.0396","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152116","5.0789","0.0002","11.0036","0.0005","10.9164","0.0005","90","","90.128","0.002","90","","610.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0235","0.0214","","0.0283","0.0252","0.0252","","","","","","1.1423","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152117","5.6736","0.0002","9.5781","0.0004","10.7239","0.0004","90","","90","","90","","582.76","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0276","0.0245","","0.0348","0.0291","0.0291","","","","","","1.1434","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152118","6.4573","0.0003","9.4912","0.0005","10.0281","0.0005","90","","90","","90","","614.6","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0268","0.0242","","0.0314","0.0283","0.0283","","","","","","1.0708","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152119","6.1219","0.0003","8.5353","0.0006","11.8539","0.0008","90","","90","","90","","619.39","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0309","0.0255","","0.0388","0.0295","0.0295","","","","","","0.9937","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152120","6.6936","0.0005","7.0452","0.0005","6.707","0.0005","90","","99.357","0.002","90","","312.08","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0263","0.0235","","0.0294","0.0268","0.0268","","","","","","1.1023","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152121","6.1357","0.0004","5.1847","0.0003","9.4064","0.0006","90","","93.064","0.002","90","","298.81","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0264","0.0242","","0.0313","0.0275","0.0275","","","","","","1.1586","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152122","7.698","0.0002","8.773","0.0002","8.885","0.0003","90","","94.976","0.0016","90","","597.78","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0325","0.0273","","0.0366","0.0308","0.0308","","","","","","1.0295","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152123","8.193","0.0003","7.164","0.0003","10.941","0.0005","90","","109.287","0.002","90","","606.14","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.047","0.0304","","0.0581","0.0345","0.0345","","","","","","1.0842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152124","6.3628","0.0002","9.2072","0.0003","10.1628","0.0003","90","","90","","90","","595.37","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0347","0.0295","","0.0384","0.0341","0.0341","","","","","","1.1757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152125","5.7591","0.0003","6.2197","0.0003","16.2984","0.0008","90","","90","","90","","583.81","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0373","0.0271","","0.0413","0.0308","0.0308","","","","","","1.1361","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152126","6.1181","0.0003","7.1297","0.0003","6.9272","0.0004","90","","94.628","0.002","90","","301.18","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C12 H14 F2 O6 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0266","0.0235","","0.0318","0.0277","0.0277","","","","","","1.1481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152127","6.271","0.0002","7.6812","0.0002","12.1999","0.0003","90","","90","","90","","587.65","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0281","0.0267","","0.0303","0.0298","0.0298","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152128","6.3457","0.0002","7.8536","0.0004","12.1288","0.0005","90","","90","","90","","604.46","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0317","0.0281","","0.0351","0.0295","0.0295","","","","","","1.1513","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152129","7.2178","0.001","8.7675","0.0013","9.5","0.002","90","","90","","90","","601.18","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0377","0.0295","","0.0475","0.0334","0.0334","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152130","5.1716","0.0002","5.2806","0.0002","6.082","0.0003","68.403","0.002","67.501","0.002","80.743","0.003","142.64","0.011","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C6 H7 F O3 -","1","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.027","0.0261","","0.0281","0.0274","0.0274","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152131","6.7058","0.0005","8.1556","0.0005","10.7504","0.0007","90","","90","","90","","587.94","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0327","0.0261","","0.0399","0.0308","0.0308","","","","","","1.0307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152132","6.224","0.0004","10.6879","0.0006","8.8554","0.0004","90","","106.7","0.004","90","","564.23","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C26 H26 F2 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0413","0.031","","0.0445","0.0309","0.0309","","","","","","1.1805","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152133","6.203","0.002","13.362","0.005","18.973","0.007","90","","106.802","0.01","90","","1505.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0882","0.059","","","0.1615","0.185","","","","","","1.055","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152134","9.912","0.004","13.636","0.005","10.633","0.004","90","","104.257","0.005","90","","1392.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0696","0.0457","","","0.125","0.1423","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152135","13.063","0.002","13.707","0.002","13.95","0.002","99.713","0.002","99.524","0.002","99.393","0.002","2380.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O21 -","- C42 H57 N3 O21 -","- C84 H114 N6 O42 -","2","1","","Nieto-García, Olaia; Lago-Santomé, Hugo; Cagide-Fagín, Fernando; Ortiz-Lara, Juan Carlos; Alonso, Ricardo","A formal [3+3]-annulation-based approach to pancratistatins: total synthesis of (±)-7-deoxy-pancratistatin and its 2-epi and 2,4-diepi analogues.","Organic & biomolecular chemistry","2012","10","4","825","834","10.1039/c1ob06374j","","","0.71069","MoKα","","0.1024","0.0501","","","0.1423","0.1755","","","","","","0.712","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152136","8.9268","0.0017","8.9385","0.0017","9.3112","0.0017","68.989","0.017","78.429","0.016","74.952","0.016","665","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Gignoux, Camille; Newton, Annabella F.; Barthelme, Alexandre; Lewis, William; Alcaraz, Marie-Lyne; Stockman, Robert A.","Combining two-directional synthesis and tandem reactions: a short formal synthesis of halichlorine.","Organic & biomolecular chemistry","2012","10","1","67","69","10.1039/c1ob06380d","","","1.5418","CuKα","","0.0691","0.0666","","","0.1782","0.1796","","","","","","1.129","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152137","15.9979","0.0003","29.8312","0.0005","20.5629","0.0005","90","","105.044","0.003","90","","9477","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H111 Br2 Cl9 N4 O9 -","- C87 H96.3 Br2 Cl9 N4 O8 -","- C348 H385.2 Br8 Cl36 N16 O32 -","4","1","","El Moll, Hani; Sémeril, David; Matt, Dominique; Toupet, Loïc; Harrowfield, Jean-Jacques","Resorcin[4]arene-derived mono-, bis- and tetra-imidazolium salts as ligand precursors for Suzuki-Miyaura cross-coupling.","Organic & biomolecular chemistry","2012","10","2","372","382","10.1039/c1ob06404e","","","0.71073","MoKα","","0.2379","0.0955","","","0.2681","0.3073","","","","","","0.873","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152138","8.466","0.0003","7.2644","0.0002","22.2712","0.0007","90","","95.081","0.001","90","","1364.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sarpong13","sarpong13","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0361","0.0353","","","0.0949","0.0956","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152139","22.2396","0.0013","12.8939","0.0007","10.309","0.0006","90","","110.568","0.003","90","","2767.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sarpong18","sarpong18","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0479","0.0465","","","0.1257","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152140","13.908","0.002","11.0651","0.0018","12.376","0.002","90","","91.176","0.004","90","","1904.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Peng, Shiyong; Wang, Lei; Wang, Jian","Iron-catalyzed ene-type propargylation of diarylethylenes with propargyl alcohols.","Organic & biomolecular chemistry","2012","10","2","225","228","10.1039/c1ob06456h","","","0.71073","MoKα","","0.0607","0.0494","","","0.1195","0.1256","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152141","16.337","0.002","9.364","0.002","36.071","0.003","90","","90","","90","","5518.1","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N4 S6 -","- C26 H24 N4 S6 -","- C208 H192 N32 S48 -","8","1","","Rivadehi, Shadi; Reid, Ellen F.; Hogan, Conor F.; Bhosale, Sheshanath V.; Langford, Steven J.","Fluoride-selective optical sensor based on the dipyrrolyl-tetrathiafulvalene chromophore.","Organic & biomolecular chemistry","2012","10","4","705","709","10.1039/c1ob06459b","","","0.77051","","","0.0374","0.0351","","","0.0986","0.1001","","","","","","1.061","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152142","13.215","0.003","14.889","0.003","17.81","0.004","89.02","0.03","85.32","0.03","65.87","0.03","3186.9","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 O3 -","- C42 H36 O3 -","- C168 H144 O12 -","4","2","","Yu, Jin-Tao; Huang, Zhi-Tang; Zheng, Qi-Yu","Synthesis, structure, fullerene-binding and resolution of C(3)-symmetric cavitands with rigid and deep cavities.","Organic & biomolecular chemistry","2012","10","7","1359","1364","10.1039/c1ob06465g","","","0.71073","MoKα","","0.1407","0.122","","","0.3169","0.33","","","","","","1.125","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152143","12.237","0.0013","7.6556","0.0008","12.237","0.0013","90","","108.92","","90","","1084.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O2 -","- C15 H9 N O2 -","- C60 H36 N4 O8 -","4","1","","Xia, Ziming; Wang, Kuo; Zheng, Jiening; Ma, Zheyong; Jiang, Zhanguo; Wang, Xiaoxia; Lv, Xin","Copper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives.","Organic & biomolecular chemistry","2012","10","8","1602","1611","10.1039/c1ob06488f","","","0.71073","MoKα","","0.1756","0.0983","","","0.2342","0.3158","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152144","18.554","0.004","6.256","0.0015","13.851","0.003","90","","100.778","0.004","90","","1579.4","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R,4aR,10bS)-4-(4-methoxyphenyl)-2,4,4a,5,6,10b-hexahydro-1H- benzo[f]isochromene","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Subba Reddy, B. V.; Borkar, Prashant; Yadav, J. S.; Purushotham Reddy, P.; Kunwar, A. C.; Sridhar, B.; Grée, René","Oxidative Prins and Prins/Friedel-Crafts cyclizations for the stereoselective synthesis of dioxabicycles and hexahydro-1H-benzo[f]isochromenes via the benzylic C-H activation.","Organic & biomolecular chemistry","2012","10","7","1349","1358","10.1039/c1ob06489d","","x-ray","0.71073","MoKα","","0.0798","0.0554","","","0.1105","0.1233","","","","","","1.12","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152145","6.1634","0.0006","11.2748","0.001","19.9532","0.0016","90","","90","","90","","1386.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0759","0.0446","","","0.0848","0.0939","","","","","","0.99","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152146","13.5897","0.0004","11.4742","0.0003","10.2062","0.0003","90","","110.969","0.002","90","","1486.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O2 -","- C18 H12 Cl N3 O2 -","- C72 H48 Cl4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0454","0.0347","","","0.0923","0.0971","","","","","","1.06","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152147","13.5332","0.0007","11.4883","0.0006","10.268","0.0005","90","","111.013","0.002","90","","1490.24","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0947","0.0494","","","0.1064","0.1206","","","","","","1.022","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152148","12.7467","0.0005","16.7588","0.0006","7.5184","0.0003","90","","105.053","0.002","90","","1550.97","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0612","0.0443","","","0.1195","0.1272","","","","","","1.097","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152149","7.0888","0.0004","24.91","0.0013","8.8454","0.0004","90","","101.728","0.003","90","","1529.33","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N3 O S -","- C17 H16 Cl N3 O S -","- C68 H64 Cl4 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0673","0.0403","","","0.0855","0.0933","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152150","6.3395","0.0002","7.8493","0.0003","31.3577","0.0012","90","","90","","90","","1560.38","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0498","0.0364","","","0.0772","0.0824","","","","","","1.031","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152151","9.934","0.0014","9.0722","0.0012","14.812","0.002","90","","104.519","0.003","90","","1292.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O7 S2 -","- C29 H25 N O7 S2 -","- C58 H50 N2 O14 S4 -","2","1","","Du, Zhiyun; Zhou, Chenggang; Gao, Yaojun; Ren, Qiao; Zhang, Kun; Cheng, Hansong; Wang, Wei; Wang, Jian","Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst.","Organic & biomolecular chemistry","2012","10","1","36","39","10.1039/c1ob06497e","","","0.71073","MoKα","","0.0365","0.0355","","","0.0906","0.0915","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152152","10.021","0.007","12.749","0.006","10.714","0.006","90","","90","","90","","1368.8","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.0792","0.0571","","","0.1442","0.1577","","","","","","1.074","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152153","7.891","0.007","8.626","0.004","10.666","0.008","71.25","0.05","83.35","0.05","74.83","0.04","663.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.1059","0.0634","","","0.1709","0.1886","","","","","","1.184","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152154","8.5579","0.0017","9.7108","0.0019","11.568","0.003","73.985","0.004","68.692","0.003","73.448","0.003","842.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C36 H38 Br2 O10 -","2","1","","Pei, Cheng-Kui; Wu, Lei; Lian, Zhong; Shi, Min","DABCO-catalyzed regioselective cyclization reactions of β,γ-unsaturated α-ketophosphonates or β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","1","171","180","10.1039/c1ob06507f","","","0.71073","MoKα","","0.0586","0.0438","","","0.1321","0.1445","","","","","","0.979","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152155","14.217","0.0014","7.484","0.0008","14.487","0.0015","90","","93.356","0.007","90","","1538.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Li, Xin; Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Bo-Xuan; Jin, Jia-Lu; Zhang, Yue-Yan; Dong, Nan; Cheng, Jin-Pei","Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea.","Organic & biomolecular chemistry","2012","10","2","413","420","10.1039/c1ob06518a","","","0.71075","MoKα","","0.0662","0.0487","","","0.0769","0.0837","","","","","","0.967","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152156","8.2333","0.0004","10.2275","0.0006","21.9756","0.0012","90","","92.507","0.002","90","","1848.71","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0561","0.0532","","","0.1467","0.1482","","","","","","1.316","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152157","7.0749","0.0006","12.5777","0.0015","26.548","0.003","90","","90.531","0.012","90","","2362.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl3 I N2 -","- C21 H19 Br Cl3 I N2 -","- C84 H76 Br4 Cl12 I4 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.053","0.0354","","","0.0904","0.0989","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152158","12.3454","0.0012","10.2075","0.001","15.1939","0.0015","90","","91.473","0.01","90","","1914","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl I N2 O -","- C20 H20 Cl I N2 O -","- C80 H80 Cl4 I4 N8 O4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0277","0.0237","","","0.0692","0.071","","","","","","1.075","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152159","16.8192","0.0013","16.3863","0.0013","8.5845","0.0006","90","","90.086","0.003","90","","2365.9","0.3","90","2","90","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N3 O5 P -","- C23 H27 I N3 O5 P -","- C92 H108 I4 N12 O20 P4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","x-ray","0.71073","MoKα","","0.0896","0.0617","","","0.1398","0.1559","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152160","9.7632","0.0009","21.4713","0.0019","10.1143","0.0009","90","","111.853","0.002","90","","1967.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0945","0.0538","","","0.1325","0.1461","","","","","","0.878","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152161","12.5433","0.0014","13.5672","0.0015","12.0025","0.0014","90","","107.766","0.002","90","","1945.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0797","0.0454","","","0.1041","0.1106","","","","","","0.888","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152162","9.67","0.002","9.854","0.002","11.723","0.003","81.755","0.004","85.472","0.004","62.643","0.004","981.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F3 N2 O -","- C23 H17 F3 N2 O -","- C46 H34 F6 N4 O2 -","2","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.115","0.0662","","","0.1634","0.1972","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152163","18.8187","0.0003","16.0647","0.0003","26.4451","0.0003","90","","93.062","0.001","90","","7983.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N8 O7 -","- C72 H110 Cl4 N8 O7 -","- C288 H440 Cl16 N32 O28 -","4","1","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","1.54178","CuKα","","0.0888","0.0715","","","0.218","0.24","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152164","27.892","0.003","17.134","0.0018","30.726","0.003","90","","94.856","0.005","90","","14631","3","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H108 Cl4 N8 O7 -","- C71 H108 Cl4 N8 O7 -","- C568 H864 Cl32 N64 O56 -","8","2","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","0.71073","MoKα","","0.2073","0.1454","","","0.3771","0.407","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152165","6.805","0.005","13.163","0.005","13.478","0.005","90","0.005","99.373","0.005","90","0.005","1191.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.0823","0.1016","","","","","","0.985","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152166","6.717","0.003","7.176","0.003","12.147","0.004","99.024","0.011","99.364","0.012","91.872","0.011","569.5","0.4","293","","293","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","1","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.1285","0.0769","","","0.1893","0.2251","","","","","","0.997","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152167","5.7243","0.0003","18.0071","0.0008","11.168","0.0005","90","","96.429","0.004","90","","1143.94","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0543","0.0325","","","0.0558","0.0594","","","","","","0.892","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152168","5.7726","0.0006","17.59","0.002","11.5824","0.0014","90","","96.205","0.01","90","","1169.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1006","0.0481","","","0.0871","0.0966","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152169","9.5504","0.0003","25.2883","0.0007","10.0653","0.0003","90","","103.733","0.003","90","","2361.41","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.049","0.0313","","","0.0567","0.0584","","","","","","0.851","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152170","9.67","0.0003","12.489","0.0005","19.8078","0.0007","90","","93.06","0.003","90","","2388.75","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0856","0.0546","","","0.0912","0.1037","","","","","","1.04","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152171","13.539","0.002","13.615","0.002","13.6874","0.0017","90","","97.139","0.0012","90","","2503.5","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butoxycarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1341","0.0558","","","0.0906","0.1083","","","","","","0.873","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152172","13.9784","0.0017","6.7384","0.0008","20.781","0.003","90","","106.778","0.003","90","","1874.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Br O4 -","- C24 H15 Br O4 -","- C96 H60 Br4 O16 -","4","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0936","0.042","","","0.0757","0.0899","","","","","","0.984","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152173","8.9178","0.0008","11.7133","0.0011","12.8242","0.0011","100.054","0.001","104.185","0.001","108.823","0.001","1181.39","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H19 Br O3 -","- C33 H19 Br O3 -","- C66 H38 Br2 O6 -","2","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0402","0.032","","","0.0734","0.0771","","","","","","1.013","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152174","11.4815","0.0014","17.5731","0.0015","10.472","0.001","90","","105.993","0.011","90","","2031.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Griffin, Karen; Montagne, Cyril; Hoang, Cam Thuy; Clarkson, Guy J.; Shipman, Michael","Lewis acid promoted intramolecular (3 + 2) 'cycloadditions' of methyleneaziridines with alkene and alkyne acceptors.","Organic & biomolecular chemistry","2012","10","5","1032","1039","10.1039/c1ob06578e","","","1.54184","CuKα","","0.0849","0.0746","","","0.2304","0.2554","","","","","","1.15","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152175","20.6692","0.0004","7.93121","0.00018","29.3363","0.0008","90","","90","","90","","4809.15","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H14 Cl3 O P S4 -","- C21 H14 Cl3 O P S4 -","- C168 H112 Cl24 O8 P8 S32 -","8","2","","Wan, Jun-Hua; Fang, Wei-Fen; Li, Yi-Bao; Xiao, Xu-Qiong; Zhang, Li-Hong; Xu, Zheng; Peng, Jia-Jian; Lai, Guo-Qiao","Phosphole modified pentathienoacene: Synthesis, electronic properties and self-assembly.","Organic & biomolecular chemistry","2012","10","7","1459","1466","10.1039/c1ob06584j","","","0.71073","MoKα","","0.0737","0.0576","","","0.141","0.1509","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152176","5.4561","0.0002","7.8785","0.0003","14.0005","0.0007","90","","90.132","0.002","90","","601.82","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Allen, Joseph C.; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalysed enantioselective synthesis of 4-arylchroman-2-ones.","Organic & biomolecular chemistry","2012","10","1","32","35","10.1039/c1ob06586f","","","0.71073","MoKα","","0.05","0.0377","","","0.0906","0.0975","","","","","","1.078","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152177","5.5511","0.0001","15.6885","0.0003","25.0161","0.0007","90","","90","","90","","2178.61","0.08","150","","150","","","","","","","","synthetic","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0875","0.0646","","0.1802","0.1629","0.1799","","","","","","0.9956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152178","16.2188","0.0004","7.3588","0.0002","17.0482","0.0004","90","","104.047","0.0013","90","","1973.88","0.09","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","2","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0568","0.0427","","0.1188","0.1061","0.1188","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152179","5.135","0.0002","10.7533","0.0006","15.1732","0.0008","90","","94.763","0.003","90","","834.94","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.079","0.0623","","0.1829","0.1697","0.1829","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152180","8.935","0.0018","20.224","0.004","11.92","0.002","90","","108.98","0.03","90","","2036.9","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0635","0.0502","","","0.125","0.1367","","","","","","1.116","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152181","9.926","0.002","10.434","0.002","10.832","0.002","105.94","0.03","101.26","0.03","102.67","0.03","1012.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0496","0.0359","","","0.0975","0.1036","","","","","","1.012","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152182","11.722","0.0017","11.809","0.0018","14.791","0.0018","96.802","0.008","93.368","0.002","119.634","0.009","1750.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H44 N4 O4.5 -","- C40.5 H44 N4 O4.5 -","- C81 H88 N8 O9 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71075","MoKα","","0.0748","0.0523","","","0.1545","0.1633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152183","9.31","0.004","12.038","0.003","27.103","0.007","90","","90","","90","","3037.5","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 B O3 P2 -","- C32 H37 B O3 P2 -","- C128 H148 B4 O12 P8 -","4","1","","Boyd, Derek R.; Bell, Mark; Dunne, Katherine S.; Kelly, Brian; Stevenson, Paul J.; Malone, John F.; Allen, Christopher C. R.","Chemoenzymatic synthesis of a mixed phosphine-phosphine oxide catalyst and its application to asymmetric allylation of aldehydes and hydrogenation of alkenes.","Organic & biomolecular chemistry","2012","10","7","1388","1395","10.1039/c1ob06599h","","","0.71073","MoKα","","0.1624","0.0699","","","0.1765","0.2326","","","","","","0.976","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152184","9.2092","0.001","13.6899","0.0014","14.6484","0.0016","90.884","0.003","99.028","0.003","103.338","0.003","1772.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N11 O8 -","- C37 H33 N11 O8 -","- C74 H66 N22 O16 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Fang, Xiao; Zhou, Feng; Hii, Meng Ni; Li, Sam Fong Yau; Su, Haibin; Zeng, Huaqiang","Synthesis, structural investigation and computational modelling of water-binding aquafoldamers.","Organic & biomolecular chemistry","2012","10","6","1172","1180","10.1039/c1ob06609a","","","0.71073","MoKα","","0.0885","0.053","","","0.1169","0.1292","","","","","","0.961","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152185","7.037","0.004","12.336","0.006","13.346","0.007","76.67","0.009","76.633","0.009","83.431","0.009","1094.5","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Ren, Wenming; Chen, Hong; Hu, Youhong","Domino reactions of 2-methyl chromones containing an electron withdrawing group with chromone-fused dienes.","Organic & biomolecular chemistry","2012","10","3","486","489","10.1039/c1ob06613g","","","0.71073","MoKα","","0.1658","0.0766","","","0.1881","0.2406","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152186","11.3442","0.0011","19.983","0.0018","13.8952","0.0013","90","","99.66","0.003","90","","3105.3","0.5","","","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-(5-cyano-3-methyl-6-(1-methyl-1H-indol-3-yl)-1-phenyl-1H-pyrazolo [3,4-b]pyridin-4-yl)-1-naphthoic acid","","","- C37 H30 N6 O3 -","- C37 H30 N6 O3 -","- C148 H120 N24 O12 -","4","1","","Hao, Yan; Xu, Xiao-Ping; Chen, Tao; Zhao, Li-Li; Ji, Shun-Jun","Multicomponent approaches to 8-carboxylnaphthyl-functionalized pyrazolo[3,4-b]pyridine derivatives.","Organic & biomolecular chemistry","2012","10","4","724","728","10.1039/c1ob06624b","","","","","","0.1144","0.0789","","","0.1621","0.181","","","","","","1.15","","","","has coordinates","288218","2023-12-11","20:45:25",""
"7152187","11.6327","0.0011","11.6667","0.001","15.0995","0.0013","90","","104.81","0.004","90","","1981.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H52 N6 S -","- C46 H52 N6 S -","- C92 H104 N12 S2 -","2","1","","Oh, Joong-Suk; Lee, Ji-Woong; Ryu, Tae Hee; Lee, Jae Heon; Song, Choong Eui","Self-association free bifunctional thiourea organocatalysts: synthesis of chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2012","10","5","1052","1055","10.1039/c1ob06629c","","","0.71073","MoKα","","0.1018","0.0684","","","0.1819","0.2095","","","","","","1.026","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152188","5.812","0.0005","6.7788","0.0006","25.807","0.002","90","","90","","90","","1016.75","0.15","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Clerici, Paolo; Wennemers, Helma","Mono thiomalonates as thioester enolate equivalents‒enantioselective 1,4-addition reactions to nitroolefins under mild conditions.","Organic & biomolecular chemistry","2012","10","1","110","113","10.1039/c1ob06638b","","","0.71073","MoKα","","0.0412","0.0221","","0.0381","0.021","0.0205","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152189","12.9848","0.0017","17.0304","0.0017","24.393","0.003","90","","90","","90","","5394.2","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C176 H280 Al8 Br8 Cl16 N8 O16 -","4","0.5","","Wang, Chubei; Xu, Chao; Tan, Xiaosong; Peng, Hao; He, Hongwu","The asymmetric synthesis of chiral cyclic α-hydroxy phosphonates and quaternary cyclic α-hydroxy phosphonates.","Organic & biomolecular chemistry","2012","10","8","1680","1685","10.1039/c1ob06669b","","","0.71073","MoKα","","0.0612","0.0424","","","0.0947","0.0997","","","","","","0.934","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152190","8.581","0.0018","9.4511","0.0019","18.265","0.004","90","","90","","90","","1481.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Huang, Long; Wei, Yin; Shi, Min","Asymmetric substitutions of O-Boc-protected Morita-Baylis-Hillman adducts with pyrrole and indole derivatives.","Organic & biomolecular chemistry","2012","10","7","1396","1405","10.1039/c1ob06671d","","","0.71073","MoKα","","0.0576","0.0407","","","0.1105","0.1216","","","","","","1.033","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152191","11.5434","0.0008","11.2906","0.0008","12.3029","0.0009","90","","107.608","0.002","90","","1528.34","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","","Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian","Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.","Organic & biomolecular chemistry","2012","10","8","1625","1638","10.1039/c1ob06683h","","","0.71073","MoKα","","0.0684","0.053","","","0.1313","0.1417","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152192","12.3538","0.0014","11.1227","0.0012","18.446","0.002","90","","91.746","0.001","90","","2533.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 9","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine","","- C29 H31 O0.47 P Si -","- C29 H31 O0.471 P Si -","- C116 H124 O1.884 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0413","","","0.1099","0.1161","","","","","","1.033","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152193","12.3039","0.0019","11.128","0.0017","18.544","0.003","90","","91.632","0.002","90","","2538","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 10","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine oxide","","- C29 H31 O P Si -","- C29 H31 O P Si -","- C116 H124 O4 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0374","","","0.0974","0.1052","","","","","","1.039","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152194","9.681","0.003","12.864","0.004","14.899","0.005","90","","90","","90","","1855.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Znabet, Anass; Blanken, Sara; Janssen, Elwin; de Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence.","Organic & biomolecular chemistry","2012","10","5","941","944","10.1039/c1ob06699d","","","0.71073","MoKα","","0.0711","0.0592","","","0.0941","0.097","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152195","8.4693","0.0008","19.713","0.003","22.265","0.002","90","","90","","90","","3717.3","0.7","291.15","","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N O2 -","- C22 H33 N O2 -","- C176 H264 N8 O16 -","8","1","","Liu, Xiao-Yu; Cheng, Hang; Li, Xiao-Huan; Chen, Qiao-Hong; Xu, Liang; Wang, Feng-Peng","Oxidative dearomatization/intramolecular Diels-Alder cycloaddition cascade for the syntheses of (±)-atisine and (±)-isoazitine.","Organic & biomolecular chemistry","2012","10","7","1411","1417","10.1039/c1ob06704d","","","1.5418","CuKα","","0.0584","0.0451","","","0.12","0.129","","","","","","1.041","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152196","17.0172","0.0003","8.60512","0.00013","28.3901","0.0005","90","","91.4359","0.0017","90","","4156","0.12","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C208 H208 N16 O8 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","1.54184","CuKα","","0.0457","0.0406","","","0.1118","0.1174","","","","","","1.025","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152197","17.051","0.002","7.5405","0.0006","28.226","0.004","90","","93.201","0.01","90","","3623.4","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0721","0.0667","","0.1015","0.1011","0.1015","","","","","","1.1573","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152198","14.113","0.006","14.919","0.005","19.801","0.005","90","","90","","90","","4169","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C192 H224 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0576","0.0561","","0.1193","0.1189","0.1193","","","","","","0.9975","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152199","6.5535","0.0005","10.9957","0.001","14.1615","0.0013","100.817","0.005","101.782","0.005","99.966","0.004","957.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O3 Si -","- C16 H32 O3 Si -","- C32 H64 O6 Si2 -","2","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.0895","0.0499","","","0.1473","0.1825","","","","","","1.085","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152200","39.763","0.009","7.0246","0.0013","19.471","0.004","90","","105.495","0.013","90","","5241","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H34 N2 O8 Si -","- C23 H34 N2 O8 Si -","- C184 H272 N16 O64 Si8 -","8","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.1646","0.0619","","","0.1619","0.2201","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152201","10.02411","0.00005","10.34453","0.00006","20.23764","0.00011","90","","90","","90","","2098.54","0.02","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C88 H68 F12 N8 O20 S4 -","4","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0283","0.027","","","0.07","0.0709","","","","","","1.049","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152202","21.382","0.002","21.382","0.002","10.7536","0.001","90","","90","","120","","4257.8","0.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C32.33 H42.33 I N2 O2 -","- C23 H21 I N2 O2 -","- C138 H126 I6 N12 O12 -","6","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.16","0.0916","","","0.2924","0.3676","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152203","8.31659","0.00011","20.0565","0.0002","17.4123","0.0002","90","","95.0536","0.0012","90","","2893.11","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H25 F3 N2 O5 S -","- C34 H25 F3 N2 O5 S -","- C136 H100 F12 N8 O20 S4 -","4","2","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0445","0.0388","","","0.0979","0.1013","","","","","","1.015","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152204","20.657","0.003","18.786","0.003","26.624","0.004","90","","97.992","0.005","90","","10231","3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H128.5 N20 O50.25 S8 -","- C72 H122 N20 O50.25 S8 -","- C288 H488 N80 O201 S32 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.1042","0.0881","","","0.212","0.2279","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152205","15.129","0.003","12.14","0.002","33.206","0.007","90","","100.51","0.03","90","","5996","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N10 O24.5 S4 -","- C48 H54 N10 O24.5 S4 -","- C192 H216 N40 O98 S16 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71073","MoKα","","0.1352","0.1116","","","0.2946","0.3058","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152206","14.299","0.0017","20.408","0.002","22.893","0.002","90","","107.014","0.006","90","","6388.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H81.5 N12.5 O32 S5 -","- C45 H79.5 N12.5 O32 S5 -","- C180 H318 N50 O128 S20 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.0755","0.0655","","","0.1504","0.1559","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152207","5.7098","0.0009","9.5517","0.0015","14.904","0.002","87.425","0.002","89.606","0.002","82.942","0.002","805.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0592","0.0587","","","0.1544","0.1556","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152208","5.66","0.002","9.583","0.004","15.456","0.006","94.113","0.005","92.683","0.005","96.361","0.005","829.8","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0972","0.0863","","","0.2314","0.2513","","","","","","1.09","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152209","16.4826","0.0006","6.8123","0.0003","9.0139","0.0004","90","","90","","90","","1012.12","0.07","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.039","0.0332","","","0.0847","0.0889","","","","","","1.051","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152210","7.9762","0.0006","8.4759","0.0005","11.3641","0.0009","83.948","0.003","80.632","0.003","73.019","0.002","723.61","0.09","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","1","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.0585","0.0471","","","0.1147","0.1246","","","","","","1.101","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152211","9.648","0.001","14.822","0.002","16.441","0.003","104.68","0.01","103.17","0.01","91.75","0.01","2204.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(rac)-10a,10'a-bis(methylthio)octahydro-1H,1'H-5a,5'a-bidipyrrolo- [1,2-a:1',2'-d]pyrazine-5,5',10,10'(6H,6'H,10aH,10'aH)-tetraone","","- C22 H30.25 N4 O4.125 S2 -","- C22 H30.25 N4 O4.125 S2 -","- C88 H121 N16 O16.5 S8 -","4","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1058","0.0583","","","0.1246","0.1458","","","","","","1.012","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152212","6.43","0.001","11.207","0.002","21.269","0.003","90","","90","","90","","1532.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1287","0.0779","","","0.1326","0.1481","","","","","","1.107","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152213","6.4416","0.0006","10.8045","0.0005","24.627","0.002","90","","90","","90","","1714","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dodecahydro-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13(1H,7H)-dione","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C72 H96 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0454","0.0353","","","0.0712","0.0745","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152214","9.1262","0.0009","9.6454","0.001","11.5103","0.0009","91.426","0.005","101.32","0.006","91.777","0.005","992.52","0.16","123","2","123","2","","","","","","","","5","P 1","P 1","1","","6a,13a-bis(methylthio)hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C20 H30 N2 O2 S2 -","- C20 H30 N2 O2 S2 -","- C40 H60 N4 O4 S4 -","2","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1323","0.1008","","","0.2044","0.2264","","","","","","1.166","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152215","17.1844","0.0013","7.3729","0.0005","10.8107","0.0008","90","","105.732","0.003","90","","1318.39","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a,10a-bis(methylthio)octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione","","- C12 H18 N2 O2 S2 -","- C12 H18 N2 O2 S2 -","- C48 H72 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0588","0.0481","","","0.0985","0.1049","","","","","","1.138","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152216","11.4283","0.0001","17.1077","0.0002","19.3984","0.0002","90","","92.773","0.001","90","","3788.18","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,7-bis(benzyloxy)tetrahydro-5a,10a-epidithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione and 2,7-bis(benzyloxy)tetrahydro-5a,10a-epitrithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione in the ration 2.69:0.31","","- C74 H74 Cl6 N6 O12 S6.31 -","- C74 H74 Cl6 N6 O12 S6.309 -","- C148 H148 Cl12 N12 O24 S12.618 -","2","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0833","0.0764","","","0.1791","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152217","19.2441","0.001","19.2441","0.001","14.2264","0.0011","90","","90","","90","","5268.5","0.6","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C176 H288 N32 O48 -","16","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","0.71073","MoKα","","0.0613","0.0412","","","0.0915","0.1014","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152218","5.6765","0.0004","10.5601","0.0009","15.2326","0.0011","80.631","0.007","85.199","0.005","75.014","0.005","869.46","0.12","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0424","0.0372","","","0.0902","0.0923","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152219","13.1883","0.0006","6.5039","0.0003","14.5084","0.0007","90","","100.899","0.003","90","","1222.02","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl3 N3 O4 -","- C20 H30 Cl3 N3 O4 -","- C40 H60 Cl6 N6 O8 -","2","1","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0393","0.033","","","0.0755","0.0773","","","","","","1.006","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152220","9.2865","0.0005","10.1783","0.0005","12.8619","0.0007","86.696","0.002","80.581","0.002","63.553","0.002","1073.65","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C32 H58 N6 O16 -","2","1","","Ji, Cong-Bin; Liu, Yun-Lin; Zhao, Xiao-Li; Guo, Yin-Long; Wang, Hao-Yang; Zhou, Jian","Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD.","Organic & biomolecular chemistry","2012","10","6","1158","1161","10.1039/c2ob06746c","","","0.71073","MoKα","","0.0599","0.039","","","0.0952","0.1107","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152221","9.466","0.002","15.214","0.006","16.716","0.005","64.8","0.03","76.56","0.02","74.57","0.02","2080.1","1.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C49 H56 O3 -","- C49 H56 O3 -","- C98 H112 O6 -","2","1","","Yucel, Baris; Sanli, Bahar; Akbulut, Huseyin; Ozbey, Suheyla; Benniston, Andrew C.","Colour-responsive fluorescent oxy radical sensors.","Organic & biomolecular chemistry","2012","10","9","1775","1784","10.1039/c2ob06825g","","x-ray","0.71073","MoKα","","0.2268","0.0806","","","0.2198","0.2864","","","","","","0.999","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152222","8.1332","0.001","12.8039","0.0015","23.181","0.003","86.488","0.002","85.393","0.002","84.635","0.002","2392.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N2 -","- C30 H36 N2 -","- C120 H144 N8 -","4","2","","Curiel, David; Sánchez, Guzmán; Ramírez de Arellano, Carmen; Tárraga, Alberto; Molina, Pedro","Combined study of anion recognition by a carbazole-based neutral tripodal receptor in a competitive environment.","Organic & biomolecular chemistry","2012","10","9","1896","1904","10.1039/c2ob06868k","","","0.71073","MoKα","","0.1367","0.0861","","","0.14","0.1571","","","","","","1.111","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152223","9.3619","0.0019","10.083","0.002","10.655","0.002","87.11","0.03","82.02","0.03","88.24","0.03","994.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N Si -","- C24 H23 N Si -","- C48 H46 N2 Si2 -","2","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.1855","0.0664","","","0.1178","0.1398","","","","","","0.996","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152224","13.268","0.003","10.072","0.002","13.822","0.003","90","","91.6","0.03","90","","1846.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C92 H84 N4 Si4 -","4","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.0965","0.0484","","","0.0865","0.0899","","","","","","1.004","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152225","12.4462","0.0002","13.975","0.0002","16.7998","0.0003","90","","110.205","0.002","90","","2742.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl3 N3 O3 -","- C31 H22 Cl3 N3 O3 -","- C124 H88 Cl12 N12 O12 -","4","1","","Yin, Xiao-Gang; Liu, Xin-Yun; Hu, Zhi-Peng; Yan, Ming","Efficient synthesis of multicyclic spirooxindoles via a cascade Michael/Michael/oxa-Michael reaction of curcumins and isatylidene malononitriles.","Organic & biomolecular chemistry","2012","10","8","1506","1509","10.1039/c2ob06995d","","","1.54184","CuKα","","0.0581","0.0447","","","0.115","0.1269","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152226","8.418","0.002","8.861","0.002","9.944","0.002","64.89","0.01","88.07","0.01","71.11","0.01","630.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Bodipati, Naganjaneyulu; Peddinti, Rama Krishna","Chemical generation of o-quinone monoimines for the rapid construction of 1,4-benzoxazine derivatives.","Organic & biomolecular chemistry","2012","10","10","1958","1961","10.1039/c2ob06681e","","","0.71073","MoKα","","0.0504","0.0474","","","0.1258","0.1295","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152227","8.162","0.003","8.55","0.003","12.743","0.005","82.561","0.004","81.071","0.004","72.465","0.004","834.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 B F2 N3 -","- C20 H16 B F2 N3 -","- C40 H32 B2 F4 N6 -","2","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.1195","0.1015","","","0.3297","0.3389","","","","","","1.074","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152228","10.0277","0.0007","17.2775","0.0012","11.1652","0.0008","90","","94.161","0.001","90","","1929.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B F2 N3 -","- C22 H20 B F2 N3 -","- C88 H80 B4 F8 N12 -","4","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.0684","0.0463","","","0.1624","0.1858","","","","","","1.08","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152229","36.086","0.017","13.768","0.007","7.995","0.004","90","","95.653","0.006","90","","3953","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C184 H160 B8 F16 N24 O8 -","8","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.315","0.2648","","","0.7374","0.7801","","","","","","1.097","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152230","9.481","0.006","12.32","0.008","17.351","0.011","70.679","0.008","80.779","0.009","83.598","0.009","1884","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H21 N3 -","- C22 H21 N3 -","- C88 H84 N12 -","4","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.228","0.1705","","","0.5341","0.5599","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152231","11.934","0.002","14.466","0.003","12.536","0.002","90","","110.006","0.005","90","","2033.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Zhang, Xia; Ji, Jingjing; Zhu, Yingguang; Jing, Changcheng; Li, Ming; Hu, Wenhao","A highly diastereoselective three-component tandem 1,4-conjugated addition-cyclization reaction to multisubstituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","10","2133","2138","10.1039/c2ob06760a","","","0.71073","MoKα","","0.0851","0.0605","","","0.149","0.1752","","","","","","1.081","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152232","20.4538","0.0012","25.3853","0.0015","19.2348","0.0012","90","","90.229","0.001","90","","9987.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl3 F12 P4 -","- C49 H41 Cl3 F12 P4 -","- C392 H328 Cl24 F96 P32 -","8","2","","Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava","An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site().","Organic & biomolecular chemistry","2012","10","11","2263","2271","10.1039/c2ob06815j","","","0.71073","MoKα","","0.209","0.1336","","","0.2789","0.318","","","","","","1.115","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152233","10.0392","0.0008","15.7261","0.0012","16.0211","0.0011","81.667","0.005","82.511","0.005","79.608","0.006","2447.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.07 H48.13 Cl0.14 O5 -","- C65 H48 Cl0.137 O5 -","- C130 H96 Cl0.274 O10 -","2","1","","Hu, Jian-Yong; Ni, Xin-Long; Feng, Xing; Era, Masanao; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko","Highly emissive hand-shaped π-conjugated alkynylpyrenes: Synthesis, structures, and photophysical properties.","Organic & biomolecular chemistry","2012","10","11","2255","2262","10.1039/c2ob06865f","","","0.7749","synchrotron","","0.1125","0.0723","","","0.1876","0.2097","","","","","","1.035","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152234","14.6967","0.0005","21.036","0.0007","23.8819","0.0009","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H100 Ag2 F12 O16 P2 -","- C66 H100 Ag2 F12 O16 P2 -","- C264 H400 Ag8 F48 O64 P8 -","4","0.5","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.0705","0.0503","","","0.1358","0.1526","","","","","","1.029","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152235","12.2817","0.0004","60.688","0.002","13.4217","0.0004","90","","97.516","0.002","90","","9917.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H148 Ag D12 F6 O16 P -","- C98 H160 Ag F6 O16 P -","- C392 H640 Ag4 F24 O64 P4 -","4","1","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.1846","0.0976","","","0.2245","0.2794","","","","","","1.019","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152236","8.8875","0.0011","13.7511","0.0017","15.0665","0.0019","64.753","0.002","77.356","0.003","74.412","0.002","1592.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)[TBA-acetate]","","- C62 H90 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","1","0.5","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.1184","0.0641","","","0.1584","0.2103","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152237","13.644","0.003","15.163","0.003","16.546","0.004","84.368","0.004","78.777","0.004","72.6","0.004","3201.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)2[(n-Bu)4NCl]","","- C58 H86 Cl6 N8 O2 -","- C58 H86 Cl6 N8 O2 -","- C116 H172 Cl12 N16 O4 -","2","1","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.237","0.0773","","","0.1903","0.2824","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152238","16.5754","0.0005","16.5754","0.0005","7.5796","0.0005","90","","90","","120","","1803.45","0.14","100","","100","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","sumanene","sumanene","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter","Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon.","Organic & biomolecular chemistry","2012","10","11","2218","2222","10.1039/c2ob07040e","","","0.71073","MoKα","","0.031","0.022","","","","0.046","0.036","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152239","8.4011","0.0007","10.0557","0.0008","13.0329","0.0015","74.541","0.007","78.907","0.007","76.897","0.006","1023.28","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N2 -","- C24 H30 N2 -","- C48 H60 N4 -","2","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1402","0.0585","","","0.1212","0.1511","","","","","","0.984","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152240","9.783","0.003","13.775","0.003","12.7176","0.0012","90","","90.574","0.018","90","","1713.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N2 -","- C18 H20 Cl2 N2 -","- C72 H80 Cl8 N8 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.2083","0.0594","","","0.0937","0.1287","","","","","","0.945","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152241","5.804","0.002","21.72","0.01","6.563","0.004","90","","113.508","0.004","90","","758.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N -","- C9 H11 N -","- C36 H44 N4 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1601","0.1174","","","0.3181","0.3582","","","","","","1.061","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152242","7.0214","0.0002","12.5519","0.0005","14.2927","0.0005","93.591","0.002","92.24","0.002","103.988","0.002","1217.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn- 1-yl)oxy)(tert-but","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn-1-yl)oxy)(tert-butyl)dimethylsilane","","- C26 H33 Br O Si -","- C26 H33 Br O Si -","- C52 H66 Br2 O2 Si2 -","2","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0382","0.0352","","","0.0899","0.0967","","","","","","1.112","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152243","33.7073","0.0006","5.632","0.0001","14.5599","0.0003","90","","97.857","0.001","90","","2738.1","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","","- C17 H12 Br F O -","- C17 H12 Br F O -","- C136 H96 Br8 F8 O8 -","8","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0411","0.0342","","","0.0854","0.089","","","","","","1.098","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152244","13.0824","0.0006","5.1563","0.0002","26.5341","0.0012","90","","93.297","0.003","90","","1786.94","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","","- C25 H17 F O -","- C25 H17 F O -","- C100 H68 F4 O4 -","4","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0668","0.0384","","","0.0851","0.0962","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152245","10.9716","0.0004","18.7546","0.0006","13.2194","0.0004","90","","101.595","0.003","90","","2664.62","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","rifampicin 1,1,1-trichloroethane solvate","","","- C47 H64 Cl6 N4 O12 -","- C47 H64 Cl6 N4 O12 -","- C94 H128 Cl12 N8 O24 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0803","0.0538","","","0.1389","0.1652","","","","","","1.052","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152246","13.8494","0.0006","17.4243","0.0007","20.0324","0.0009","90","","90","","90","","4834.1","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate dihydrate","","","- C45 H72 N4 O17 -","- C45 H72 N4 O17 -","- C180 H288 N16 O68 -","4","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0476","0.04","","","0.0948","0.0996","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152247","9.2035","0.0001","20.0206","0.0001","13.8049","0.0001","90","","103.152","0.001","90","","2476.96","0.04","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H68 Cl2 N2 O15 -","- C45 H67.99 Cl2.01 N2 O15 -","- C90 H135.98 Cl4.02 N4 O30 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","1.54184","CuKα","","0.0472","0.0471","","","0.1382","0.1383","","","","","","1.058","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152248","10.0612","0.001","18.1279","0.0019","17.8048","0.0018","90","","98.285","0.003","90","","3213.5","0.6","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C76 H34 Br8 F4 N4 -","- C76 H34 Br8 F4 N4 -","- C152 H68 Br16 F8 N8 -","2","1","","Jiang, Xiu-Zhao; Cai, Chen-Xin; Liu, Jin-Tao; Uno, Hidemitsu","Novel syntheses and properties of meso-tetraaryl-octabromo-tetranaphtho[2,3]porphyrins (Ar(4)Br(8)TNPs).","Organic & biomolecular chemistry","2012","10","15","3110","3115","10.1039/c2ob00041e","","","0.71073","MoKα","","0.0593","0.0474","","","0.1225","0.1317","","","","","","1.033","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152249","10.913","0.002","10.913","0.002","81.73","0.03","90","","90","","120","","8429","4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H47 O5.5 -","- C360 H564 O66 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","","1.54178","CuKα","","0.0645","0.0504","","","0.1316","0.1504","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152250","10.8602","0.001","10.8602","0.001","81.052","0.01","90","","90","","120","","8278.9","1.5","20","2","20","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H46.73 O5.41 -","- C360 H560.76 O64.92 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","neutron","1.4597","neutron","","0.0879","0.0795","","","0.1934","0.2032","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152251","10.516","0.003","27.593","0.004","21.05","0.003","90","","97.919","0.003","90","","6050","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Val-Val-Ac6c-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-valyl-valyl-methyl ester hemihydrate","","- C50 H90 N8 O11.5 -","- C50 H90 N8 O11.5 -","- C200 H360 N32 O46 -","4","2","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1204","0.0644","","","0.1573","0.1814","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152252","11.312","0.004","19.868","0.006","28.099","0.009","90","","90","","90","","6315","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Ac6c-Val-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-phenylalanyl-valyl-methyl ester","","- C58 H90 N8 O11 -","- C58 H90 N8 O11 -","- C232 H360 N32 O44 -","4","1","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1279","0.0767","","","0.1619","0.1855","","","","","","1.075","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152253","19.837","0.001","15.2026","0.0008","6.3744","0.0004","90","","90","","90","","1922.35","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0856","0.0677","","","0.1644","0.1735","","","","","","0.943","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152254","8.9913","0.0007","19.6654","0.0014","11.4452","0.0009","90","","103.239","0.004","90","","1969.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0923","0.0667","","","0.1815","0.1973","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152255","12.0752","0.0003","15.397","0.0004","12.4647","0.0003","90","","104.391","0.001","90","","2244.74","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0759","0.0615","","","0.1806","0.2203","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152256","12.5282","0.0008","8.7884","0.0006","18.2013","0.0012","90","","94.582","0.002","90","","1997.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0967","0.0613","","","0.1695","0.2108","","","","","","1.373","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152257","10.68181","0.0001","11.93226","0.00015","25.6913","0.0003","90","","93.4477","0.0009","90","","3268.64","0.06","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Pyreneacetyl-diethylglycyl-diethylglycinate para-nitrobenzyl ester","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C148 H156 N12 O24 -","4","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0591","0.0539","","","0.1549","0.1621","","","","","","1.032","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152258","10.0556","0.0002","23.1736","0.0005","11.9038","0.0002","90","","98.01","0.002","90","","2746.81","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Pyreneacetyl-(Deg)5-O-pNO2Bzl","","- C55 H72 N6 O9 -","- C55 H72 N6 O9 -","- C110 H144 N12 O18 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0705","0.0638","","","0.1774","0.188","","","","","","1.032","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152259","11.591","0.0008","12.462","0.0008","15.4573","0.0012","97.958","0.001","107.43","0.001","91.224","0.001","2105.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Pyreneacetyl-(Aib)5-OtBu","","- C42 H55 N5 O7 -","- C42 H55 N5 O7 -","- C84 H110 N10 O14 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0559","0.0537","","","0.1598","0.1638","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152260","14.584","0.002","10.5609","0.0014","15.24","0.002","90","","109.665","0.002","90","","2210.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N7 O2 -","- C24 H24 N7 O2 -","- C96 H96 N28 O8 -","4","1","","Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai","Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.","Organic & biomolecular chemistry","2012","10","12","2439","2446","10.1039/c2ob06875c","","","0.71073","MoKα","","0.1084","0.0651","","","0.1373","0.1542","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152261","9.4536","0.0019","9.3865","0.0019","21.293","0.004","90","","100.03","0.03","90","","1860.6","0.7","112","2","112","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F6 N3 O2 P -","- C19 H16 F6 N3 O2 P -","- C76 H64 F24 N12 O8 P4 -","4","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.","Organic & biomolecular chemistry","2012","10","15","3033","3043","10.1039/c2ob06898b","","","0.71073","MoKα","","0.06","0.0548","","","0.1447","0.1512","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152262","7.1563","0.001","8.3628","0.0012","10.5833","0.0015","90","","98.637","0.002","90","","626.19","0.15","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O7 -","- C11 H19 N O7 -","- C22 H38 N2 O14 -","2","1","","Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai","Syntheses of (-)-pelletierine and (-)-homopipecolic acid.","Organic & biomolecular chemistry","2012","10","13","2518","2520","10.1039/c2ob06984a","","x-ray","0.71073","MoKα","","0.0353","0.0344","","","0.0965","0.0981","","","","","","1.063","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152263","11.257","0.002","5.2096","0.0009","22.234","0.004","90","","104.886","0.008","90","","1260.1","0.4","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","x-ray","0.71073","MoKα","","0.0903","0.0611","","","0.1506","0.2047","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152264","7.2317","0.0019","8.138","0.002","9.5","0.003","108.982","0.004","90.709","0.004","90.925","0.005","528.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","","0.71073","MoKα","","0.1034","0.068","","","0.1494","0.2205","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152265","19.0051","0.0004","11.4052","0.0002","15.91","0.0003","90","","109.528","0.001","90","","3250.23","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C136 H168 N8 O24 S8 -","8","2","","O'Brien, Matthew; Leach, Andrew; Armstrong, Roly J.; Chong, Keting; Sheridan, Ross","Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.","Organic & biomolecular chemistry","2012","10","12","2392","2394","10.1039/c2ob07008a","","","0.71073","MoKα","","0.0955","0.0513","","","0.1013","0.1166","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152266","13.5209","0.0009","16.5318","0.0012","41.077","0.003","90","","90","","90","","9181.7","1.1","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C55 H43 Cl2 N2 O2 P S -","- C55 H43 Cl2 N2 O2 P S -","- C440 H344 Cl16 N16 O16 P8 S8 -","8","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.065","0.0472","","","0.0976","0.1032","","","","","","0.909","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152267","12.249","0.004","5.5446","0.0019","16.208","0.006","90","","104.895","0.004","90","","1063.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br2 F2 N2 O2 -","- C22 H16 Br2 F2 N2 O2 -","- C44 H32 Br4 F4 N4 O4 -","2","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.0677","0.0519","","","0.1386","0.1486","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152268","10.0579","0.0008","40.788","0.003","10.7646","0.0009","90","","101.688","0.004","90","","4324.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H88 Cl6 N16 O11 -","- C90 H88 Cl6 N16 O11 -","- C180 H176 Cl12 N32 O22 -","2","0.5","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.0795","0.0488","","","0.0988","0.111","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152269","17.58","0.002","39.483","0.005","11.7189","0.0015","90","","130.147","0.004","90","","6217.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H37.5 Br2 N4 O4 -","- C26 H37.5 Br2 N4 O4 -","- C208 H300 Br16 N32 O32 -","8","1","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.1115","0.0628","","","0.178","0.2041","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152270","3.7806","0.0001","24.0853","0.0008","11.7506","0.0004","90","","97.413","0.002","90","","1061.03","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0631","0.0568","","","0.1375","0.1405","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152271","7.0872","0.0002","17.7874","0.0005","25.4096","0.0006","90","","91.485","0.001","90","","3202.13","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0951","0.0546","","","0.1094","0.1237","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152272","18.4597","0.0018","7.1537","0.0007","11.0986","0.0012","90","","98.355","0.006","90","","1450.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","0.5","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0492","0.0419","","","0.1267","0.1332","","","","","","1.099","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152273","9.2174","0.0003","19.7268","0.0007","10.0151","0.0003","90","","110.322","0.002","90","","1707.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0556","0.0335","","","0.0724","0.0781","","","","","","1.077","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152274","11.4766","0.0008","3.8102","0.0002","25.7302","0.0016","90","","94.941","0.004","90","","1120.95","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C56 H32 Cl4 N4 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0532","0.0364","","","0.0936","0.0991","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152275","8.6083","0.0006","26.5181","0.0019","7.4938","0.0006","90","","98.838","0.004","90","","1690.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N2 O1.5 -","- C22 H19 N2 O1.5 -","- C88 H76 N8 O6 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0779","0.0475","","","0.1177","0.1286","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152276","9.987","0.0004","10.6502","0.0004","11.9022","0.0005","94.557","0.002","114.488","0.002","93.883","0.002","1141.35","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl N3 O2 -","- C27 H24 Cl N3 O2 -","- C54 H48 Cl2 N6 O4 -","2","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0757","0.0437","","","0.1074","0.116","","","","","","1.043","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152277","8.0156","0.0002","8.4956","0.0004","19.4087","0.001","90","","90","","90","","1321.68","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0825","0.0693","","","0.1803","0.194","","","","","","1.153","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152278","8.3229","0.0004","11.3609","0.0005","11.8761","0.0003","90","","90","","90","","1122.95","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0442","0.0375","","","0.0911","0.0948","","","","","","1.071","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152279","7.2735","0.0003","9.0784","0.0002","21.1524","0.0008","90","","90","","90","","1396.73","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.053","0.0457","","","0.1216","0.1291","","","","","","1.068","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152280","8.553","0.002","13.788","0.004","20.858","0.008","88.838","0.014","86.545","0.014","73.382","0.012","2352.7","1.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H50 B2 Cl3 F4 N7 O4 -","- C51 H50 B2 Cl3 F4 N7 O4 -","- C102 H100 B4 Cl6 F8 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.0926","0.0649","","","0.1725","0.1949","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152281","8.341","0.003","12.445","0.006","20.303","0.008","79.279","0.015","85.683","0.013","80.571","0.015","2040.6","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H49 B Cl F6 N5 O2 -","- C45 H49 B Cl F6 N5 O2 -","- C90 H98 B2 Cl2 F12 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1019","0.0662","","","0.1902","0.2129","","","","","","1.109","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152282","11.092","0.004","11.957","0.004","19.33","0.006","77.243","0.01","82.685","0.013","63.623","0.012","2238.8","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H57 B Cl3 F2 N5 O2 -","- C48 H57 B Cl3 F2 N5 O2 -","- C96 H114 B2 Cl6 F4 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1207","0.0721","","","0.1711","0.1972","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152283","15.754","0.005","17.148","0.007","17.17","0.005","116.501","0.012","108.051","0.01","91.068","0.014","3879","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B2 Cl N7 O4 -","- C90 H103 B2 Cl N7 O4 -","- C180 H206 B4 Cl2 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1546","0.0778","","","0.2066","0.2435","","","","","","1.012","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152284","5.7575","0.0003","10.4335","0.0005","14.3548","0.0007","74.944","0.001","84.193","0.001","77.533","0.001","812.14","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W; De Kimpe, Norbert","Radical-mediated nitrile translocation as the key step in the stereoselective transformation of 2-(4-chloro-2-cyanobutyl)aziridines to methyl cis-(1-arylmethyl-4-phenylpiperidin-2-yl)acetates.","Organic & biomolecular chemistry","2012","10","16","3308","3314","10.1039/c2ob07062f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1246","0.1293","","","","","","1.05","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152285","9.5044","0.0003","11.9561","0.0004","17.0346","0.0006","103.13","0.001","91.678","0.001","105.355","0.001","1809.58","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N6 O11 Zn2 -","- C33 H38 N6 O11 Zn2 -","- C66 H76 N12 O22 Zn4 -","2","1","","Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad","A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.","Organic & biomolecular chemistry","2012","10","12","2380","2384","10.1039/c2ob07084g","","","0.71073","MoKα","","0.0399","0.0306","","","0.0936","0.1096","","","","","","0.563","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152286","6.64749","0.00014","13.2825","0.0003","33.3205","0.0007","90","","90","","90","","2942.04","0.11","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br2 N2 O9 -","- C29 H26 Br2 N2 O9 -","- C116 H104 Br8 N8 O36 -","4","1","","Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo","Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.","Organic & biomolecular chemistry","2012","10","15","2993","3001","10.1039/c2ob07107j","","","1.54187","CuKα","","","0.0592","","","","0.0723","","","","","","5.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152287","24.115","0.003","10.4602","0.0011","15.5022","0.0017","90","","95.746","0.002","90","","3890.7","0.8","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong","Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.","Organic & biomolecular chemistry","2012","10","15","2960","2965","10.1039/c2ob07173h","","","0.71073","MoKα","","0.0453","0.0373","","","0.1052","0.1127","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152288","9.225","0.002","12.144","0.003","14.886","0.004","74.73","0.01","78.29","0.02","83.99","0.04","1573","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","p-nitrophenyl-amino-ethylene-amido-rhodamine","","","- C36 H39 N5 O4 -","- C36 H39 N5 O4 -","- C72 H78 N10 O8 -","2","1","","Bag, Bamaprasad; Biswal, Biswonath","Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.","Organic & biomolecular chemistry","2012","10","14","2733","2738","10.1039/c2ob07182g","","","0.71073","MoKα","","0.0811","0.0578","","","0.1632","0.1844","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152289","13.4805","0.0004","20.3239","0.0006","24.982","0.0007","90","","90","","90","","6844.5","0.3","203","","203","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C105 H152 F18 N8 O43 Pd4 S6 Sm2 -","- C105 H144 F18 N8 O43 Pd4 S6 Sm2 -","- C210 H288 F36 N16 O86 Pd8 S12 Sm4 -","2","0.5","","Zhang, Guoqi","A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.","Organic & biomolecular chemistry","2012","10","13","2534","2536","10.1039/c2ob25074h","","","0.71073","MoKα","","0.0973","0.0553","","0.0739","0.0549","0.0549","","","","","","1.0093","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152290","12.556","0.002","14.418","0.003","13.45","0.002","90","","101.806","0.003","90","","2383.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F2 O3 -","- C13 H14 F2 O3 -","- C104 H112 F16 O24 -","8","2","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0894","0.0574","","","0.1198","0.1317","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152291","10.052","0.002","7.8441","0.0018","17.153","0.004","90","","106.959","0.003","90","","1293.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 O3 -","- C13 H16 F2 O3 -","- C52 H64 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0994","0.0622","","","0.133","0.1463","","","","","","1.086","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152292","7.046","0.003","16.235","0.007","24.642","0.011","90","","90","","90","","2819","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F2 O3 -","- C14 H18 F2 O3 -","- C112 H144 F16 O24 -","8","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0712","0.0498","","","0.1087","0.1184","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152293","7.953","0.003","20.19","0.008","9.179","0.004","90","","93.291","0.009","90","","1471.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F2 O3 -","- C15 H20 F2 O3 -","- C60 H80 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.2035","0.0886","","","0.1417","0.1847","","","","","","0.846","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152294","8.402","0.003","9.71","0.004","19.088","0.007","90","","90","","90","","1557.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F2 N O2 -","- C18 H19 F2 N O2 -","- C72 H76 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0692","0.0512","","","0.0862","0.0919","","","","","","0.912","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152295","8.8405","0.0017","9.7476","0.0019","19.684","0.004","90","","90","","90","","1696.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F2 N O2 -","- C19 H21 F2 N O2 -","- C76 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0603","0.0497","","","0.0995","0.1055","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152296","8.5802","0.0018","9.972","0.002","19.406","0.004","90","","90","","90","","1660.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F2 N O2 -","- C20 H21 F2 N O2 -","- C80 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0477","0.0421","","","0.0954","0.0981","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152297","10.9353","0.0015","12.0352","0.0017","12.4875","0.0017","73.716","0.001","67.727","0.001","83.617","0.001","1459.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Br N O3 -","- C37 H32 Br N O3 -","- C74 H64 Br2 N2 O6 -","2","1","","Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru","Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.","Organic & biomolecular chemistry","2012","10","15","2934","2936","10.1039/c2ob25223f","","","0.71073","MoKα","","0.0527","0.0506","","","0.1526","0.1542","","","","","","1.067","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152298","10.8355","0.0004","12.6814","0.0005","24.4115","0.0008","90","","94.018","0.002","90","","3346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 O4 S2 -","- C36.006 H41.015 N3 O4 S2 -","- C144.024 H164.06 N12 O16 S8 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.","Organic & biomolecular chemistry","2012","10","15","2937","2941","10.1039/c2ob25226k","","","0.71073","MoKα","","0.0834","0.0456","","","0.1247","0.1574","","","","","","1.023","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152299","7.298","0.0015","13.566","0.003","17.045","0.003","90","","90","","90","","1687.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio","Microwave-assisted C-3 selective oxidative radical alkylation of flavones.","Organic & biomolecular chemistry","2012","10","15","2946","2949","10.1039/c2ob25249j","","","0.71073","MoKα","","0.1069","0.051","","","0.0969","0.1156","","","","","","1","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152300","8.107","0.0011","12.105","0.0016","11.6138","0.0016","90","","101.055","0.002","90","","1118.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O6 -","- C22 H26 Br N O6 -","- C44 H52 Br2 N2 O12 -","2","1","","Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang","Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.","Organic & biomolecular chemistry","2012","10","16","3195","3201","10.1039/c2ob25295c","","","0.71073","MoKα","","0.0745","0.0553","","","0.1301","0.1386","","","","","","0.92","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152301","7.366","0.0004","9.0252","0.0005","10.1518","0.0005","84.572","0.002","88.905","0.002","89.911","0.002","671.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","","Zhou, Feng; Ding, Miao; Zhou, Jian","A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.","Organic & biomolecular chemistry","2012","10","16","3178","3181","10.1039/c2ob25319d","","","0.71073","MoKα","","0.0554","0.0453","","","0.129","0.1378","","","","","","1.093","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152302","8.4697","0.0001","10.1103","0.0001","13.868","0.0001","90","","90","","90","","1187.53","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0226","0.0224","","0.0608","0.0607","0.0608","","","","","","0.9946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152303","9.7787","0.0004","10.1274","0.0003","9.7756","0.0003","90","","108.505","0.004","90","","918.05","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0438","0.0371","","0.091","0.0865","0.091","","","","","","0.9889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152304","7.0008","0.0002","9.0561","0.0002","24.0388","0.0005","90","","90","","90","","1524.06","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.0536","0.0363","","0.102","0.0972","0.102","","","","","","1.0222","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152305","7.5","0.0003","6.0089","0.0002","17.9334","0.0007","90","","94.8761","0.0015","90","","805.28","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.061","0.0484","","0.167","0.1581","0.167","","","","","","1.2426","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152306","10.7984","0.0002","14.414","0.0003","18.7238","0.0003","90","","104.773","0.0019","90","","2817.98","0.09","243","","243","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 -","- C34 H40 N2 -","- C136 H160 N8 -","4","1","","Mitkina, Tatiana; Stanglmair, Christoph; Setzer, Wolfgang; Gruber, Michael; Kisch, Horst; König, Burkhard","Visible light mediated homo- and heterocoupling of benzyl alcohols and benzyl amines on polycrystalline cadmium sulfide.","Organic & biomolecular chemistry","2012","10","17","3556","3561","10.1039/c2ob07053g","","x-ray","1.54184","CuKα","","0.061","0.0535","","","0.1576","0.1659","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152307","8.3183","0.0002","25.3594","0.0006","10.8216","0.0002","90","","90.076","0.002","90","","2282.78","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O5 -","- C30 H24 O5 -","- C120 H96 O20 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium(0)-catalyzed cyclization of 1,6-diyn-3-yl carbonates with a nucleophilic functionality: efficient synthesis of polycyclic benzo[b]fluorene derivatives via allene intermediates.","Organic & biomolecular chemistry","2012","10","18","3696","3704","10.1039/c2ob07148g","","","0.71073","MoKα","","0.0555","0.0407","","","0.0976","0.1083","","","","","","0.878","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152308","15.678","0.0006","9.3043","0.0006","30.2382","0.0013","90","","104.663","0.002","90","","4267.3","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C208 H176 N16 O48 -","8","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0503","0.0412","","","0.1113","0.1188","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152309","5.1915","0.0001","12.1482","0.0003","20.353","0.0004","90","","91.797","0.001","90","","1282.98","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.056","0.0381","","","0.0858","0.0938","","","","","","1.043","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152310","9.2089","0.0002","15.1611","0.0004","12.0162","0.0002","90","","124.926","0.001","90","","1375.51","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0537","0.0445","","","0.1219","0.1286","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152311","13.2402","0.0004","8.7479","0.0002","19.2827","0.0005","90","","123.821","0.002","90","","1855.46","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0884","0.0586","","","0.1126","0.124","","","","","","1.067","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152312","9.0404","0.0002","9.9839","0.0003","10.8814","0.0003","90.88","0.001","103.859","0.001","111.082","0.001","884.12","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C44 H54 N2 O6 -","2","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0535","0.0457","","","0.1241","0.1299","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152313","15.562","0.006","10.686","0.004","15.625","0.006","90","","90","","90","","2598.4","1.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C108 H148 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1454","0.0919","","","0.2162","0.2483","","","","","","0.996","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152314","10.82","0.007","16.178","0.01","15.982","0.01","90","","98.366","0.017","90","","2768","3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylacetyl-(5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C32 H39 O4 P -","- C32 H39 O4 P -","- C128 H156 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.2445","0.1477","","","0.3207","0.3668","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152315","10.232","0.003","12.846","0.004","13.644","0.002","78.15","0.02","68.93","0.02","86.69","0.02","1637.6","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Phenylacetyl(3,3',5,5'-Tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C36 H47 O4 P -","- C36 H47 O4 P -","- C72 H94 O8 P2 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1038","0.0789","","","0.2018","0.2238","","","","","","1.066","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152316","16.1185","0.0006","5.7251","0.0002","24.3065","0.0009","90","","106.365","0.004","90","","2152.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 I O Se -","- C25 H21 I O Se -","- C100 H84 I4 O4 Se4 -","4","1","","Xu, Jianfeng; Zhu, Shugao; Wu, Luling; Huang, Xian","Chemoselective synthesis of highly substituted 1,2-allenyl ketones, furans, and 2-alkynyl ketones from reaction of lithium selenolates with 1-(1-alkynyl)cyclopropyl ketones and electrophiles.","Organic & biomolecular chemistry","2012","10","18","3705","3714","10.1039/c2ob25071c","","","0.71073","MoKα","","0.0564","0.0368","","","0.0816","0.0921","","","","","","1.039","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152317","8.7411","0.0002","10.8404","0.0002","11.3321","0.0002","94.6197","0.001","106.901","0.0011","91.5749","0.0012","1022.62","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N S2 -","- C24 H8 N S2 -","- C48 H16 N2 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0717","0.0692","","","0.1981","0.2003","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152318","10.9704","0.0004","12.7453","0.0004","15.4994","0.0006","108.851","0.002","97.4139","0.0018","100.602","0.002","1974.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N3 O4 S2 -","- C44 H39 N3 O4 S2 -","- C88 H78 N6 O8 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0779","0.0564","","","0.1501","0.1643","","","","","","1.041","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152319","6.8238","0.0002","11.0492","0.0003","16.3885","0.0004","90","","100.76","0.002","90","","1213.93","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71073","MoKα","","0.057","0.0393","","","0.1017","0.1062","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152320","17.021","0.0005","11.994","0.001","13.456","0.0005","90","","113.283","0.004","90","","2523.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C128 H96 O48 -","8","2","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71077","synchrotron","","0.3714","0.266","","","0.5261","0.5693","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152321","4.2571","0.0007","14.425","0.002","23.481","0.004","90","","90","","90","","1441.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sun, Zhong-Xin; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade annulation reaction of o-vinylarylaldehydes with nitrosoarenes: one-step assembly of functionalized 2,3-benzoxazin-4-ones","Organic & Biomolecular Chemistry","2012","10","20","4088","","10.1039/c2ob25137j","","","0.71073","MoKα","","0.0521","0.044","","","0.1157","0.1209","","","","","","1.084","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152322","10.3319","0.0004","21.2699","0.0008","9.3647","0.0004","90","","120.648","0.002","90","","1770.5","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","1","","Huang, Jing-Mei; Ye, Zhi-Jun; Chen, Dong-Song; Zhu, Hong","Iodine mediated/Brønsted acid-catalyzed dimerization of vinylarenes: a tandem reaction through Ritter trapping to produce N-(4-iodo-1,3-diarylbutyl) acetamides.","Organic & biomolecular chemistry","2012","10","18","3610","3612","10.1039/c2ob25142f","","","0.71073","MoKα","","0.0368","0.0339","","","0.0975","0.1084","","","","","","1.156","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152323","19.7487","0.0016","9.7599","0.0008","18.467","0.0012","90","","90","","90","","3559.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.1286","0.0554","","","0.0918","0.1178","","","","","","1.04","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152324","10.9862","0.0009","19.4309","0.0013","9.9118","0.0009","90","","115.173","0.01","90","","1914.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.062","0.0371","","","0.0962","0.1026","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152325","10","0.0007","11.073","0.0007","10.832","0.002","90","","109.495","0.01","90","","1130.7","0.2","110","2","110","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","CMN103F2","(2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide","","- C23 H30 Fe N O2 P Si -","- C23 H30 Fe N O2 P Si -","- C46 H60 Fe2 N2 O4 P2 Si2 -","2","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0383","0.0353","","","0.0727","0.0739","","","","","","1.054","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152326","12.0764","0.0012","13.3216","0.0013","17.3013","0.0016","90","","90","","90","","2783.4","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CHN130FM","","","- C32 H31 Fe N O2 P2 -","- C32 H31 Fe N O2 P2 -","- C128 H124 Fe4 N4 O8 P8 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0381","0.0321","","","0.072","0.0738","","","","","","0.98","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152327","10.1623","0.0009","12.0052","0.001","14.5445","0.0013","90","","90","","90","","1774.4","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CMN82ff","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0242","0.0232","","","0.0568","0.057","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152328","5.817","0.0003","12.8442","0.0007","23.6728","0.0013","90","","90","","90","","1768.71","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0334","0.0301","","","0.0711","0.0726","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152329","7.6377","0.0003","7.8225","0.0003","32.1299","0.001","93.748","0.002","91.221","0.002","109.094","0.002","1808.28","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","","Bennett, Nicholas J.; Elliott, Mark C.; Hewitt, Natalie L.; Kariuki, Benson M.; Morton, Clare A.; Raw, Steven A.; Tomasi, Simone","Diastereoselective alkylation reactions of 1-methylcyclohexa-2,5-diene-1-carboxylic acid","Organic & Biomolecular Chemistry","2012","10","19","3859","","10.1039/c2ob25211b","","","0.71073","MoKα","","0.105","0.0706","","","0.1381","0.1588","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152330","42.526","0.008","15.758","0.003","16.686","0.003","90","","90","","90","","11182","4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H78 Cl2 O10 -","- C59 H78 Cl2 O10 -","- C472 H624 Cl16 O80 -","8","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1516","0.1193","","","0.2971","0.3259","","","","","","1.096","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152331","21.897","0.004","21.54","0.004","25.2","0.005","90","","98.28","0.004","90","","11762","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119 H198 Cl2 O10 -","- C119 H198 Cl2 O10 -","- C476 H792 Cl8 O40 -","4","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2188","0.1394","","","0.3347","0.3894","","","","","","1.508","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152332","12.2219","0.0011","14.486","0.0013","21.9366","0.0019","89.672","0.002","89.514","0.002","76.132","0.001","3770.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 F2 O10 -","- C79 H118 F2 O10 -","- C158 H236 F4 O20 -","2","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1521","0.0911","","","0.2284","0.2913","","","","","","1.031","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152333","15.136","0.002","24.59","0.004","24.775","0.004","61.226","0.002","81.302","0.002","74.159","0.002","7773","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 I2 O10 -","- C79 H118 I2 O10 -","- C316 H472 I8 O40 -","4","2","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2447","0.197","","","0.494","0.5428","","","","","","2.082","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152334","7.5614","0.0005","11.1691","0.0007","20.0521","0.0013","90","","90","","90","","1693.48","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O4 S -","- C16 H15 Br N2 O4 S -","- C64 H60 Br4 N8 O16 S4 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0484","0.0348","","","0.0726","0.0764","","","","","","0.954","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152335","7.4711","0.0007","11.1765","0.001","19.4619","0.0017","90","","90","","90","","1625.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O4 S2 -","- C14 H13 Br N2 O4 S2 -","- C56 H52 Br4 N8 O16 S8 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0292","0.0269","","","0.0646","0.0656","","","","","","0.833","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152336","6.5782","0.0004","8.7302","0.0005","21.2398","0.0012","90","","90","","90","","1219.78","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O6 -","- C14 H15 N O6 -","- C56 H60 N4 O24 -","4","1","","Ahmad, Sajjad; Swift, Michael D.; Farrugia, Louis J.; Senn, Hans Martin; Sutherland, Andrew","Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton","Organic & Biomolecular Chemistry","2012","10","19","3937","","10.1039/c2ob25334h","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0839","0.0857","","","","","","1.083","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152337","9.5048","0.0003","18.9754","0.0006","19.2401","0.0007","90","","90","","90","","3470.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H20 N4 O6 S -","- C34 N O10 S -","- C136 N4 O40 S4 -","4","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0804","0.0714","","","0.1969","0.2074","","","","","","1.393","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152338","10.6718","0.0005","11.6816","0.0006","14.2167","0.0007","90","","111.935","0.001","90","","1644.01","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O9 S -","- C33 H41 N O9 S -","- C66 H82 N2 O18 S2 -","2","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0296","0.0268","","","0.0666","0.0686","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152339","11.7222","0.0014","10.3371","0.0013","12.2852","0.0016","90","","98.752","0.002","90","","1471.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0844","0.0546","","","0.1018","0.1144","","","","","","1.053","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152340","7.7625","0.0013","10.6733","0.0018","17.788","0.003","90","","97.621","0.002","90","","1460.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.1024","0.0521","","","0.1144","0.1402","","","","","","1.017","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152341","9.4618","0.0012","11.8536","0.0015","12.1246","0.0015","117.873","0.002","91.857","0.002","110.815","0.002","1090.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C46 H54 N2 O14 S2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0453","0.0365","","","0.1045","0.1118","","","","","","1.05","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152342","15.273","0.002","14.335","0.002","9.1567","0.0013","90","","90.0282","0.0021","90","","2004.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0481","0.0367","","","0.0948","0.102","","","","","","1.024","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152343","9.1092","0.0018","10.189","0.002","20.517","0.004","90","","90","","90","","1904.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.043","0.0352","","","0.0924","0.1176","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152344","9.1436","0.0018","19.925","0.004","10.386","0.002","90","","100.85","0.03","90","","1858.4","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.0403","0.0357","","","0.0948","0.0988","","","","","","1.071","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152345","11.486","0.0017","7.4766","0.0011","20.639","0.003","90","","95.97","0.003","90","","1762.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N O3 S -","- C18 H18 Br N O3 S -","- C72 H72 Br4 N4 O12 S4 -","4","1","","Zhang, Di-Han; Du, Kang; Shi, Min","Gold(i)-catalyzed intramolecular hydroamination and ring-opening of sulfonamide-substituted 2-(arylmethylene)cyclopropylcarbinols.","Organic & biomolecular chemistry","2012","10","18","3763","3766","10.1039/c2ob25512j","","","0.71073","MoKα","","0.0912","0.0579","","","0.1295","0.1423","","","","","","1.092","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152346","9.7862","0.0003","11.6935","0.0004","18.199","0.0009","90","","97.545","0.001","90","","2064.57","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0833","0.0609","","","0.1372","0.1539","","","","","","1.062","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152347","8.9831","0.0001","11.8982","0.0001","13.1146","0.0001","106.512","0.001","109.88","0.001","101.331","0.001","1195.17","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C54 H64 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","1.54178","CuKα","","0.0579","0.0492","","","0.1358","0.1456","","","","","","1.012","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152348","8.8685","0.0002","11.1349","0.0002","14.0791","0.0003","94.026","0.001","96.563","0.001","109.563","0.001","1292.7","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0725","0.0603","","","0.1447","0.1574","","","","","","1.023","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152349","7.3012","0.0002","9.1671","0.0002","21.9003","0.0004","90","","90","","90","","1465.81","0.06","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Tchabanenko, Kirill; Sloan, Colleen; Bunetel, Yves-Mael; Mullen, Philip","Diastereoselective 1,3-dipolar cycloaddition of pyrylium ylides with chiral enamides.","Organic & biomolecular chemistry","2012","10","21","4215","4219","10.1039/c2ob07007c","","","0.71073","MOKα","","0.0633","0.055","","","0.1589","0.1669","","","","","","1.247","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152350","18.687","0.005","8.149","0.005","18.235","0.005","90","0.005","115.58","0.005","90","0.005","2504.7","1.8","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","azetidine","","","- C27 H33 N O2 S Si -","- C27 H33 N O2 S Si -","- C108 H132 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0623","0.0521","","","0.1137","0.1231","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152351","11.241","0.005","13.09","0.005","19.226","0.005","90","0.005","90","0.005","90","0.005","2829","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans allyl azetidine","","","- C30 H37 N O2 S Si -","- C30 H37 N O2 S Si -","- C120 H148 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0408","0.0381","","","0.0941","0.0967","","","","","","0.935","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152352","10.1607","0.0007","13.0737","0.001","22.9043","0.0017","90","","90","","90","","3042.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","benzyl pyrrolidine","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0432","0.0389","","","0.0914","0.0944","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152353","10.158","0.005","13.071","0.005","22.898","0.005","90","0.005","90","0.005","90","0.005","3040","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0744","0.0545","","","0.1093","0.1213","","","","","","1.01","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152354","9.969","0.005","10.025","0.005","29.109","0.005","90","0.005","90","0.005","90","0.005","2909","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4-flurophenylpyrrolidine","","","- C33 H36 F N O2 S Si -","- C33 H36 F N O2 S Si -","- C132 H144 F4 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0607","0.0474","","","0.1039","0.1125","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152355","13.4861","0.0014","8.3629","0.0009","14.9897","0.0016","90","","110.252","0.002","90","","1586.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfoxide","","","- C35 H41 N O3 S Si -","- C35 H41 N O3 S Si -","- C70 H82 N2 O6 S2 Si2 -","2","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0549","0.0462","","","0.103","0.1103","","","","","","1.026","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152356","8.458","0.005","36.758","0.005","9.963","0.005","90","0.005","90.409","0.005","90","0.005","3097","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","REUT","","","- C34 H38 F N O3 S Si -","- C34 H38 F N O3 S Si -","- C136 H152 F4 N4 O12 S4 Si4 -","4","2","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.093","0.0643","","","0.1459","0.187","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152357","16.8073","0.0004","9.1044","0.0002","23.0328","0.0005","90","","131.716","0.001","90","","2630.86","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 O3 S Si2 -","- C24 H32 N2 O3 S Si2 -","- C96 H128 N8 O12 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0543","0.0403","","","0.0938","0.1019","","","","","","1.053","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152358","9.0478","0.0009","18.6125","0.0018","14.1521","0.0014","90","","96.359","0.001","90","","2368.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N2 O4 S Si2 -","- C20 H32 N2 O4 S Si2 -","- C80 H128 N8 O16 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0479","0.0403","","","0.1086","0.1152","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152359","6.9084","0.0019","14.098","0.004","14.21","0.004","90","","90","","90","","1384","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","1","","Li, Wenyi; Liu, Xiaodong; Mao, Zhifeng; Chen, Qiao; Wang, Rui","New approach to the preparation of bicyclo octane derivatives via the enantioselective cascade reaction catalyzed by chiral diamine-Ni(OAc)(2) complex.","Organic & biomolecular chemistry","2012","10","24","4767","4773","10.1039/c2ob25135c","","","0.71073","MoKα","","0.056","0.0368","","","0.0675","0.0727","","","","","","0.982","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152360","9.7923","0.0014","8.0377","0.0011","14.52","0.002","90","","93.817","0.002","90","","1140.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H18 N O -","- C52 H72 N4 O4 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.0699","0.0575","","","0.1757","0.1905","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152361","13.1764","0.0014","7.0909","0.0007","19.046","0.002","90","","92.154","0.003","90","","1778.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.131","0.0583","","","0.1055","0.1289","","","","","","0.908","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152362","14.605","0.004","6.1389","0.0017","20.396","0.005","90","","91.627","0.018","90","","1827.9","0.8","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C92 H76 N12 O12 -","4","1","","Maurya, Hardesh K.; Gautam, Sanjay K.; Pratap, Ramendra; Tandon, Vishnu K.; Kumar, Abhinav; Bajpai, Vikas; Kumar, Brijesh; Ram, Vishnu Ji","Sequential approach to the synthesis of 'U and Z' shaped polycyclic heteroarenes.","Organic & biomolecular chemistry","2012","10","25","4977","4986","10.1039/c2ob25173f","","","0.71073","MoKα","","0.0654","0.0398","","","0.0901","0.1022","","","","","","1.004","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152363","27.9648","0.0013","9.851","0.0006","34.664","0.0017","90","","101.179","0.004","90","","9368.1","0.9","140","1","140","1","","","","","","","","3","A 1 2/a 1","-A 2ya","15","cone-3","","","- C57 H66 O6 -","- C57 H66 O6 -","- C456 H528 O48 -","8","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0872","0.0772","","","0.1336","0.1385","","","","","","1.243","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152364","11.6724","0.0011","14.7955","0.0009","16.7566","0.0018","97.92","0.007","98.124","0.008","105.744","0.007","2709.8","0.4","293","1","293","1","","","","","","","","4","P -1","-P 1","2","cone-5","","","- C54 H87 N3 O6 -","- C54 H87 N3 O6 -","- C108 H174 N6 O12 -","2","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0759","0.0554","","","0.1463","0.1567","","","","","","1.061","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152365","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152366","9.1448","0.0013","6.7638","0.001","22.369","0.003","90","","94.61","0.003","90","","1379.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N5 O4 -","- C10 H19 N5 O4 -","- C40 H76 N20 O16 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0611","0.053","","","0.1473","0.1559","","","","","","1.079","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152367","7.4179","0.0009","11.2238","0.0015","17.288","0.002","90","","90","","90","","1439.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 O -","- C14 H20 N6 O -","- C56 H80 N24 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0519","0.0478","","","0.1168","0.1193","","","","","","1.061","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152368","8.5632","0.0003","11.8122","0.0004","10.9084","0.0004","90","","91.69","0.001","90","","1102.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O6 -","- C20 H29 B N2 O6 -","- C40 H58 B2 N4 O12 -","2","1","","Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G","Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.","Organic & biomolecular chemistry","2012","10","21","4220","4228","10.1039/c2ob25213a","","","0.71073","MoKα","","0.0368","0.0339","","","0.0863","0.0889","","","","","","1.033","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152369","29.5615","0.001","12.2972","0.0003","10.5852","0.0004","90","","110.902","0.004","90","","3594.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N2 O3 -","- C19 H16 Cl2 N2 O3 -","- C152 H128 Cl16 N16 O24 -","8","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0515","0.0385","","","0.0915","0.1002","","","","","","1.027","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152370","9.9538","0.0003","14.0904","0.0004","9.3597","0.0003","90","","105.647","0.003","90","","1264.08","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0574","0.0447","","","0.1184","0.128","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152371","9.3763","0.0007","11.1992","0.0009","13.5473","0.0011","90","","107.455","0.002","90","","1357.06","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 Pd Sn -","- C8 H12 Cl4 Pd Sn -","- C32 H48 Cl16 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Ujjal Kanti; Mal, Dipakranjan; Roy, Sujit","First example of a heterobimetallic 'Pd-Sn' catalyst for direct activation of alcohol: efficient allylation, benzylation and propargylation of arenes, heteroarenes, active methylenes and allyl-Si nucleophiles.","Organic & biomolecular chemistry","2012","10","23","4537","4542","10.1039/c2ob25275a","","","0.71073","MoKα","","0.0348","0.0251","","","0.0542","0.0574","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152372","25.2489","0.0006","15.9776","0.0003","7.6958","0.0001","90","","90","","90","","3104.62","0.1","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C29 H46 O5 Si2 -","- C29 H46 O5 Si2 -","- C116 H184 O20 Si8 -","4","1","","Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc","Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.","Organic & biomolecular chemistry","2012","10","24","4712","4719","10.1039/c2ob25299f","","x-ray","0.71073","MoKα","","0.0765","0.054","","","0.1436","0.1683","","","","","","1.183","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152373","8.569","0.0002","8.7336","0.0002","11.8798","0.0003","81.646","0.001","85.931","0.001","88.264","0.002","877.23","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 P -","- C19 H18 N O5 P -","- C38 H36 N2 O10 P2 -","2","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0498","0.0408","","","0.0982","0.1037","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152374","22.2526","0.0005","7.0132","0.0002","25.1963","0.0006","90","","106.297","0.002","90","","3774.19","0.17","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 N O5 P -","- C23 H20 N O5 P -","- C184 H160 N8 O40 P8 -","8","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0747","0.054","","","0.1035","0.1142","","","","","","1.092","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152375","12.4096","0.0003","9.6934","0.0002","27.4755","0.0007","90","","92.943","0.001","90","","3300.7","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 N O5 P -","- C15 H14 Cl2 N O5 P -","- C120 H112 Cl16 N8 O40 P8 -","8","2","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0838","0.0648","","","0.1204","0.1298","","","","","","1.144","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152376","3.7524","0.0007","12.666","0.003","21.009","0.004","90","","90","","90","","998.5","0.4","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C11 H5 Cl2 N O2 -","- C11 H5 Cl2 N O2 -","- C44 H20 Cl8 N4 O8 -","4","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0983","0.0842","","","0.2141","0.226","","","","","","1.078","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152377","10.344","0.004","13.082","0.005","14.935","0.006","85.488","0.009","83.72","0.008","80.284","0.009","1976.3","1.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 N4 O Si -","- C50 H44 N4 O Si -","- C100 H88 N8 O2 Si2 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71069","MoKα","","0.1429","0.062","","","0.1426","0.1653","","","","","","0.854","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152378","10.881","0.004","12.396","0.005","14.261","0.006","84.614","0.014","73.106","0.011","74.751","0.013","1775.4","1.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 -","- C46 H34 Cl2 N4 -","- C92 H68 Cl4 N8 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71075","MoKα","","0.0806","0.0696","","","0.1837","0.1934","","","","","","1.065","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152379","9.315","0.003","10.631","0.004","15.819","0.005","90","","90","","90","","1566.5","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","","Jia, Yang; Yang, Wen; Du, Da-Ming","Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.","Organic & biomolecular chemistry","2012","10","24","4739","4746","10.1039/c2ob25360g","","","0.71073","MoKα","","0.0481","0.0291","","","0.0367","0.0377","","","","","","0.988","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7152380","7.106","0.003","14.861","0.003","11.691","0.003","90","","101.499","0.016","90","","1209.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0735","0.0497","","","0.1273","0.1473","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152381","10.0589","0.0001","10.5323","0.0001","12.3056","0.0001","90","","100.646","0.001","90","","1281.26","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C52 H72 O16 S4 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0314","0.0306","","","0.0849","0.0857","","","","","","1.018","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152382","7.4247","0.0007","9.3395","0.0009","16.7423","0.0015","90","","90","","90","","1160.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","0.7107","MoKα","","0.0342","0.0327","","","0.0823","0.0833","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152383","10.8043","0.0004","5.7743","0.0002","14.0245","0.0005","90","","110.062","0.0018","90","","821.86","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","1.54187","CuKα","","","0.0341","","","","0.0902","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152384","11.0257","0.0006","7.5583","0.0004","14.7907","0.0009","90","","95.487","0.004","90","","1226.94","0.12","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C54 H92 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1005","0.0442","","","0.0837","0.0967","","","","","","0.829","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152385","11.658","0.003","6.105","0.002","17.568","0.005","90","","106.1","0.02","90","","1201.3","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C54 H88 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1092","0.0534","","","0.085","0.0957","","","","","","0.922","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152386","19.497","0.002","5.5899","0.0007","16.139","0.002","90","","106.361","0.003","90","","1687.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiva Kumar, K.; Rambabu, D.; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G. Rama; Basaveswara Rao, M. V.; Malla Reddy, C.; Vanaja, G. R.; Kalle, Arunasree M.; Pal, Manojit","A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.","Organic & biomolecular chemistry","2012","10","24","4774","4781","10.1039/c2ob25416f","","","0.71073","MoKα","","0.0936","0.0579","","","0.1549","0.1905","","","","","","1.042","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152387","22.232","0.018","10.636","0.007","17.824","0.014","90","","133.986","0.007","90","","3032","4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 -","- C41 H32 N4 -","- C164 H128 N16 -","4","0.5","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.1551","0.1049","","","0.1825","0.2078","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152388","8.513","0.002","23.17","0.006","11.837","0.003","90","","103.189","0.003","90","","2273.2","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N2 O -","- C28 H22 Cl2 N2 O -","- C112 H88 Cl8 N8 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0637","0.0587","","","0.1159","0.1189","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152389","25.97","0.02","4.887","0.004","11.168","0.009","90","","90","","90","","1417","2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0532","0.0522","","","0.114","0.1145","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152390","5.5779","0.0005","10.4276","0.001","31.686","0.003","90","","90","","90","","1843","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 S -","- C18 H22 O5 S -","- C72 H88 O20 S4 -","4","1","","Pei, Cheng-Kui; Jiang, Yu; Shi, Min","Synthesis of optically active dihydropyrans from asymmetric [4 + 2] cycloaddition of β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","22","4355","4361","10.1039/c2ob25475a","","","0.71073","MoKα","","0.0495","0.0447","","","0.1151","0.1188","","","","","","1.075","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152391","13.71","0.005","13.748","0.005","11.855","0.005","90","0.005","100.854","0.005","90","0.005","2194.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun","Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.","Organic & biomolecular chemistry","2012","10","23","4571","4576","10.1039/c2ob25550b","","","0.71073","MoKα","","0.1189","0.0454","","","0.0933","0.0993","","","","","","0.858","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152392","4.1304","0.0002","12.9948","0.0005","21.5358","0.0009","90","","90","","90","","1155.91","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0235","0.0228","","","0.0498","0.0502","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152393","7.8011","0.0019","9.106","0.002","15.558","0.004","90","","90","","90","","1105.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 c n","P -2n 2a","33","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0182","0.0178","","","0.0386","0.0388","","","","","","1.048","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152394","4.3176","0.0003","13.3505","0.001","15.2661","0.0012","90","","90","","90","","879.97","0.11","150","2","150","2","","","","","","","synthesis as described","4","P c 21 n","P -2n -2ac","33","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0228","0.0183","","","0.0398","0.0419","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152395","4.2056","0.0005","13.2551","0.0018","17.169","0.002","90","","90","","90","","957.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C8 H5 Cl I N3 -","- C8 H5 Cl I N3 -","- C32 H20 Cl4 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0196","0.0183","","","0.0418","0.0424","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152396","10.3473","0.0015","7.1028","0.0008","15.555","0.002","90","","104.138","0.006","90","","1108.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I2 N3 -","- C9 H7 I2 N3 -","- C36 H28 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0282","0.0249","","","0.0588","0.0603","","","","","","1.134","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152397","7.7817","0.0006","10.5301","0.0008","14.2726","0.0011","79.833","0.004","89.092","0.004","80.124","0.004","1133.98","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","2","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.049","0.0374","","","0.0895","0.0968","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152398","10.8653","0.0004","7.707","0.0002","13.2464","0.0005","90","","93.5294","0.0018","90","","1107.13","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0243","0.0224","","","0.056","0.0567","","","","","","1.277","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152399","7.993","0.002","14.366","0.004","8.736","0.002","90","","94.686","0.013","90","","999.8","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 I N3 -","- C9 H8 I N3 -","- C36 H32 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0373","0.0337","","","0.0783","0.0799","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152400","5.3015","0.0002","12.8502","0.0005","25.7032","0.0009","90","","90","","90","","1751.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-fluorophenyl)-5-(4-methylbenzyl)-3-phenyl-1H-pyrazole","","- C23 H19 F N2 -","- C23 H19 F N2 -","- C92 H76 F4 N8 -","4","1","","Borkin, Dmitry A.; Puscau, Mirela; Carlson, Alena; Solan, Agnes; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Synthesis of diversely 1,3,5-trisubstituted pyrazoles via 5-exo-dig cyclization.","Organic & biomolecular chemistry","2012","10","23","4505","4508","10.1039/c2ob25580d","","","1.54178","CuKα","","0.0398","0.0333","","","0.0767","0.0799","","","","","","1.041","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152401","7.5034","0.0002","12.2919","0.0004","13.0178","0.0004","90","","90","","90","","1200.65","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SAW694 IC-1","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54178","CuKα","","0.0338","0.0302","","","0.0734","0.076","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152402","5.97836","0.00004","12.6707","0.00007","15.76352","0.00009","90","","90","","90","","1194.09","0.012","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54184","CuKα","","0.0264","0.0262","","","0.0723","0.0726","","","","","","1.049","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152403","5.6867","0.0002","10.1514","0.0004","22.3376","0.0009","85.717","0.002","83.067","0.002","84.035","0.002","1270.62","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Cl3 O4 -","- C11 H9 Cl3 O4 -","- C44 H36 Cl12 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0728","0.0436","","","0.0908","0.103","","","","","","1.032","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152404","9.0784","0.0008","9.583","0.0007","9.3296","0.0009","90","","104.683","0.004","90","","785.15","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C28 H48 O16 -","2","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0512","0.0393","","","0.0961","0.1047","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152405","10.0094","0.0011","12.121","0.001","12.9524","0.0012","90","","90","","90","","1571.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C56 H96 O32 -","4","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0923","0.0991","","","","","","1.078","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152406","8.7884","0.0005","9.8407","0.0004","17.4343","0.001","79.265","0.003","85.517","0.004","66.444","0.003","1357.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.1091","0.0505","","","0.1171","0.1428","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152407","7.8579","0.0009","10.1629","0.0011","11.0489","0.0012","90","","90.616","0.004","90","","882.3","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","0.71073","MoKα","","0.054","0.0486","","","0.131","0.1358","","","","","","1.051","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152408","6.6246","0.0001","16.0121","0.0002","16.5233","0.0002","90","","90","","90","","1752.69","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","1.54178","CuKα","","0.0339","0.0335","","","0.0948","0.0952","","","","","","1.086","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152409","10.19","0.0009","11.952","0.0011","14.064","0.0013","83.637","0.002","82.432","0.001","68.667","0.001","1577.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 Br Cl N7 O4 -","- C29 H29 Br Cl N7 O4 -","- C58 H58 Br2 Cl2 N14 O8 -","2","1","","Li, Jing; Yu, Yan; Tu, Man-Su; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","New domino heteroannulation of enaminones: synthesis of diverse fused naphthyridines.","Organic & biomolecular chemistry","2012","10","28","5361","5365","10.1039/c2ob25349f","","","0.71073","MoKα","","0.2931","0.1395","","","0.3371","0.4255","","","","","","1.039","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152410","13.63","0.0005","10.2681","0.0003","22.3237","0.0006","90","","119.548","0.002","90","","2717.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N P2 S -","- C30 H33 N P2 S -","- C120 H132 N4 P8 S4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","0.71073","MoKα","","0.0443","0.0423","","","0.108","0.1095","","","","","","1.027","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152411","10.6237","0.0001","16.3773","0.0002","15.8989","0.0002","90","","125.406","0.001","90","","2254.65","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N P S Sn -","- C21 H32 N P S Sn -","- C84 H128 N4 P4 S4 Sn4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","1.54184","CuKα","","0.0301","0.0272","","","0.0686","0.0708","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152412","5.7182","0.0003","12.0175","0.0007","30.1828","0.0017","90","","90","","90","","2074.1","0.2","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl2 N2 O2 -","- C20 H30 Cl2 N2 O2 -","- C80 H120 Cl8 N8 O8 -","4","1","","Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.","Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.","Organic & biomolecular chemistry","2012","10","27","5253","5257","10.1039/c2ob25411e","","","1.54178","CuKα","","0.0402","0.0372","","","0.0966","0.0979","","","","","","1.101","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152413","7.5722","0.0004","9.8018","0.0005","10.6602","0.0005","75.7436","0.0014","72.7353","0.0014","80.784","0.0013","729.05","0.06","123","","123","","","","101","","","","4,4-dimethylpyrrolidine-3-carboxylic acid","5","P 1","P 1","1","N-nosyl 4,4-dimethylpyrrolidine-3-carboxylic acid","(S)-N-(2-nitrophenylsulphonyl)-4,4-dimethylpyrrolidine-3-carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C26 H32 N4 O12 S2 -","2","2","","Yoshida, Masanori; Masaki, Erika; Ikehara, Hiroto; Hara, Shoji","Enantioselective synthesis of gabapentin analogues via organocatalytic asymmetric Michael addition of α-branched aldehydes to β-nitroacrylates.","Organic & biomolecular chemistry","2012","10","27","5289","5297","10.1039/c2ob25413a","","x-ray","0.71075","MoKa","","","0.044","","","","0.1235","","","","","","1.09","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152414","7.6251","0.0004","10.1757","0.0005","12.2433","0.0006","104.314","0.001","91.763","0.001","100.041","0.001","903.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N12 O S2 -","- C20 H21 N6 O0.5 S -","- C40 H42 N12 O S2 -","2","1","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.0527","0.0429","","","0.1316","0.1426","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152415","11.092","0.005","11.448","0.005","15.672","0.007","89.924","0.008","89.583","0.009","62.283","0.007","1761.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N3 O3 S -","- C19 H19 N3 O3 S -","- C76 H76 N12 O12 S4 -","4","2","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.1761","0.138","","","0.3287","0.3472","","","","","","1.92","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152416","14.266","0.008","13.805","0.004","12.483","0.003","73.773","0.014","69.52","0.03","71.78","0.03","2147.3","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H58 O11 -","- C46 H58 O11 -","- C92 H116 O22 -","2","1","","Galli, Marzia; Berrocal, José Augusto; Di Stefano, Stefano; Cacciapaglia, Roberta; Mandolini, Luigi; Baldini, Laura; Casnati, Alessandro; Ugozzoli, Franco","Highly efficient intramolecular Cannizzaro reaction between 1,3-distal formyl groups at the upper rim of a cone-calix[4]arene.","Organic & biomolecular chemistry","2012","10","26","5109","5112","10.1039/c2ob25458a","","","1.54178","CuKα","","0.1216","0.0894","","","0.2518","0.2914","","","","","","1.065","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152417","56.216","0.011","4.9368","0.001","15.39","0.003","90","","101.42","0.03","90","","4186.6","1.5","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H31 O6.5 -","- C21 H31 O6.5 -","- C168 H248 O52 -","8","2","","Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng","Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.","Organic & biomolecular chemistry","2012","10","27","5307","5314","10.1039/c2ob25469g","","","0.71073","MoKα","","0.1076","0.0853","","","0.1754","0.1886","","","","","","1.169","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152418","12.535","0.004","14.086","0.005","16.533","0.006","95.902","0.014","105.791","0.013","91.983","0.013","2788.2","1.7","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C51 H57 N15 O11 S3 -","- C51 H57 N15 O11 S3 -","- C102 H114 N30 O22 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1516","0.1011","","","0.2647","0.2891","","","","","","0.997","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152419","10.6022","0.0007","13.4737","0.001","18.5141","0.0014","79.826","0.004","84.575","0.004","89.938","0.004","2591.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C49 H51 F3 N12 O10 S3 -","- C49 H51 F3 N12 O10 S3 -","- C98 H102 F6 N24 O20 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1072","0.0568","","","0.1172","0.1416","","","","","","1.029","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152420","11.308","0.0009","11.3298","0.0009","15.5036","0.0008","76.884","0.003","88.093","0.002","85.182","0.002","1927.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H45 N O2 P2 -","- C47.5 H45 N O2 P2 -","- C95 H90 N2 O4 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0495","0.0376","","","0.114","0.1211","","","","","","1.18","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152421","10.231","0.003","14.736","0.004","20.826","0.005","90","","102.29","0.004","90","","3067.9","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N O2 P2 -","- C35 H37 N O2 P2 -","- C140 H148 N4 O8 P8 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0694","0.0427","","","0.106","0.116","","","","","","0.962","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152422","10.726","0.001","19.139","0.002","19.555","0.002","90","","96.13","0.006","90","","3991.4","0.7","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O1.5 P4 -","- C48 H44 O1.5 P4 -","- C192 H176 O6 P16 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.2242","0.0517","","","0.0586","0.0836","","","","","","0.696","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152423","10.185","0.002","10.3","0.002","15.865","0.004","72.942","0.002","82.792","0.002","67.62","0.002","1471.1","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dipolar cycloaddition reactions of 1-alkyl-1,2-diphospholes","","- C37 H32 P2 -","- C37 H32 P2 -","- C74 H64 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","x-ray","0.71073","MoKα","","0.0598","0.0464","","","0.1397","0.1536","","","","","","0.873","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152424","25.7271","0.0018","5.6497","0.0004","13.2772","0.0009","90","","112.41","0.001","90","","1784.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.","Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.","Organic & biomolecular chemistry","2012","10","29","5636","5642","10.1039/c2ob25540e","","","0.71073","MoKα","","0.0299","0.0291","","","0.0782","0.0794","","","","","","1.024","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152425","5.771","0.0011","10.93","0.002","28.102","0.006","90","","90","","90","","1772.6","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Ramachary, Dhevalapally B.; Mondal, Rumpa; Madhavachary, R.","Direct catalytic asymmetric synthesis of highly functionalized (2-ethynylphenyl)alcohols via Barbas-List aldol reaction: scope and synthetic applications.","Organic & biomolecular chemistry","2012","10","26","5094","5101","10.1039/c2ob25563d","","","0.71073","MoKα","","0.0668","0.0556","","","0.1239","0.1295","","","","","","1.116","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152426","9.26806","0.00016","13.0043","0.0002","16.2697","0.0002","90","","90","","90","","1960.9","0.05","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N4 O3 -","- C22 H15 Br N4 O3 -","- C88 H60 Br4 N16 O12 -","4","1","","Wei, Wen-Tao; Chen, Chun-Xia; Lu, Rui-Jiong; Wang, Jin-Jia; Zhang, Xue-Jing; Yan, Ming","Enantioselective synthesis of 3,3'-dihydropyrryl-spirooxindoles via an organocatalytic three-component reaction.","Organic & biomolecular chemistry","2012","10","27","5245","5252","10.1039/c2ob25629k","","","1.5418","CuKα","","0.0312","0.0272","","","0.0694","0.0853","","","","","","1.125","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152427","19.3107","0.0004","17.019","0.0004","23.1391","0.0004","90","","93.5198","0.001","90","","7590.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 N2 S2 Si4 -","- C68 H82 N2 S2 Si4 -","- C272 H328 N8 S8 Si16 -","4","1","","Maeda, Chihiro; Yoshioka, Naoki","Peripherally ethynylated carbazole-based core-modified porphyrins.","Organic & biomolecular chemistry","2012","10","27","5182","5185","10.1039/c2ob25645b","","","1.54187","CuKα","","0.1199","0.0991","","","0.2981","0.3224","","","","","","1.15","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7152428","8.1931","0.0002","11.5561","0.0003","13.5965","0.0004","65.465","0.001","89.457","0.001","70.356","0.001","1090.13","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2RS,3RS,5RS)-4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3,4,5-tetrohydro-2,5- epoxy-1,4-benzoxazepine-3-carboxylate","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Kadina, Anastasia P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pérez, Pedro J; Yufit, Dmitry S.","Intramolecular cycloaddition of azomethine ylides, from imines of O-acylsalicylic aldehyde and ethyl diazoacetate, to ester carbonyl - experimental and DFT computational study.","Organic & biomolecular chemistry","2012","10","29","5582","5591","10.1039/c2ob25676b","","","0.71073","MOKα","","0.0358","0.0283","","","0.0671","0.07","","","","","","1.097","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152429","11.9682","0.0003","13.505","0.0003","14.0716","0.0004","91.862","0.001","92.106","0.001","111.135","0.001","2117.42","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H63 N5 O3 -","- C47 H63 N5 O3 -","- C94 H126 N10 O6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","A polyoxapolyaza macrobicyclic receptor for the recognition of zwitterions.","Organic & biomolecular chemistry","2012","10","29","5529","5532","10.1039/c2ob25725d","","","0.71073","MoKα","","0.0652","0.0495","","","0.1276","0.1387","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152430","5.5086","0.0004","8.9755","0.0007","11.5642","0.0009","103.51","0.001","95.81","0.001","101.073","0.001","539.16","0.07","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen","Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).","Organic & biomolecular chemistry","2012","10","29","5643","5646","10.1039/c2ob25767j","","","0.71073","MoKα","","0.0501","0.0432","","","0.1167","0.1239","","","","","","1.043","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152431","9.4738","0.0006","17.4767","0.0012","26.9117","0.0017","90","","90","","90","","4455.8","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Fe2 N2 O4 -","- C40 H62 Cl2 Fe2 N2 O4 -","- C160 H248 Cl8 Fe8 N8 O16 -","4","1","","Muthupandi, Pandi; Sekar, Govindasamy","Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.","Organic & biomolecular chemistry","2012","10","28","5347","5352","10.1039/c2ob25810b","","","0.71073","MoKα","","0.0577","0.037","","","0.0855","0.0999","","","","","","1.033","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152432","9.2365","0.0004","9.7935","0.0004","17.7681","0.0008","90","","101.569","0.003","90","","1574.61","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.1446","0.0671","","","0.1311","0.1606","","","","","","1.023","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152433","8.7119","0.0013","12.724","0.0018","15.85","0.002","66.646","0.003","80.311","0.003","70.794","0.003","1521.8","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.0805","0.0484","","","0.1216","0.138","","","","","","1.044","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152434","9.1476","0.0009","10.5282","0.0011","19.4696","0.0018","90","","103.17","0.001","90","","1825.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Liu, Jia-Yan; Zhang, Hao; Feng, Bao-Ming; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A multicomponent synthetic strategy for two-carbon-tethered 1,3-oxathiole-indole pairs.","Organic & biomolecular chemistry","2012","10","26","5036","5038","10.1039/c2ob25817j","","","0.71073","MoKα","","0.085","0.0448","","","0.0875","0.0993","","","","","","1.014","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152435","8.0391","0.0017","18.123","0.003","11.275","0.002","90","","105.499","0.009","90","","1582.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0967","0.0718","","","0.1112","0.1192","","","","","","1.171","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152436","7.6833","0.0005","12.1129","0.0008","13.7371","0.0009","97.44","0.003","97.44","0.003","102.311","0.003","1222.16","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C48 H40 Br8 O16 -","4","2","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0306","0.0225","","","0.0492","0.0521","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152437","13.574","0.006","17.699","0.008","21.533","0.009","90","","90","","90","","5173","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C192 H160 Br32 O64 -","16","4","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0702","0.0352","","","0.0513","0.0589","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152438","11.27","0.002","12.954","0.002","13.331","0.001","90","","108.9","0.01","90","","1841.3","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C84 H72 Cl4 N4 O12 S4 -","4","1","","Börger, Carsten; Krahl, Micha P.; Gruner, Margit; Kataeva, Olga; Knölker, Hans-Joachim","First total synthesis of the biscarbazole alkaloid oxydimurrayafoline.","Organic & biomolecular chemistry","2012","10","27","5189","5193","10.1039/c2ob25842k","","","0.71073","MoKα","","0.065","0.0352","","","0.0728","0.0809","","","","","","1.018","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152439","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152440","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152441","12.3304","0.0017","12.3304","0.0017","38.821","0.008","90","","90","","90","","5902.3","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H42 Cl N O4 -","- C33 H42 Cl N O4 -","- C264 H336 Cl8 N8 O32 -","8","1","","Chen, Song; Rong, Chao; Feng, Pengju; Li, Songlei; Shi, Yian","Stereoselective construction of the tetracyclic core of Cryptotrione.","Organic & biomolecular chemistry","2012","10","29","5518","5520","10.1039/c2ob25923k","","","0.71073","MoKα","","0.0932","0.0906","","","0.1577","0.1587","","","","","","1.321","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152442","7.2914","0.0002","13.7723","0.0003","17.2777","0.0004","90","","99.684","0.002","90","","1710.29","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O2 -","- C18 H20 N6 O2 -","- C72 H80 N24 O8 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0523","0.0444","","","0.1151","0.1222","","","","","","1.024","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152443","21.464","0.015","8.35","0.006","20.873","0.014","90","","98.375","0.012","90","","3701","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 F5 N5 O4 -","- C37 H50 F5 N5 O4 -","- C148 H200 F20 N20 O16 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.1445","0.1173","","","0.1791","0.1917","","","","","","1.269","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152444","16.627","0.004","8.9654","0.0018","17.878","0.004","90","","93.051","0.004","90","","2661.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F5 N4 O -","- C14 H7 F5 N4 O -","- C112 H56 F40 N32 O8 -","8","2","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.068","0.0571","","","0.1081","0.113","","","","","","1.143","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152445","29.489","0.005","7.2109","0.0011","18.264","0.003","90","","119.114","0.008","90","","3393","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N6 O3.5 -","- C17 H21 N6 O3.5 -","- C136 H168 N48 O28 -","8","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0693","0.0567","","","0.1514","0.1606","","","","","","1.08","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152446","8.2256","0.0014","11.0205","0.0018","18.212","0.003","90","","90","","90","","1650.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br F3 N O -","- C18 H13 Br F3 N O -","- C72 H52 Br4 F12 N4 O4 -","4","1","","Ye, Ke-Yin; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of 2,5-dihydrobenzo[b]azepine derivatives via iridium-catalyzed asymmetric allylic amination with 2-allylanilines and ring-closing-metathesis reaction.","Organic & biomolecular chemistry","2012","10","30","5932","5939","10.1039/c2ob00036a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0719","0.0751","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152447","6.0553","0.0002","13.8095","0.0005","15.5347","0.0005","90","","90","","90","","1299.02","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Madhavachary, R.; Prasad, M. Shiva","Observation of neighboring ortho-hydroxyl group participation in organocatalytic asymmetric sequential Michael-lactonization reactions: synthesis of highly substituted chiral spirodihydrocoumarins.","Organic & biomolecular chemistry","2012","10","30","5825","5829","10.1039/c2ob07122c","","","1.54184","CuKα","","0.0539","0.0438","","","0.1094","0.1146","","","","","","1.075","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152448","9.2659","0.0004","14.2973","0.0005","29.1661","0.0011","90","","90","","90","","3863.8","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O6 -","- C43 H62 N2 O6 -","- C172 H248 N8 O24 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0862","","","","0.1872","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152449","9.3208","0.0004","14.1964","0.0006","29.1726","0.0013","90","","90","","90","","3860.2","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O5 -","- C43 H62 N2 O5 -","- C172 H248 N8 O20 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0613","","","","0.1779","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152450","15.1052","0.0002","6.5375","0.0001","23.8816","0.0004","90","","95.864","0.0006","90","","2345.97","0.06","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H77 N2 O8 -","- C51 H78 N2 O8 -","- C102 H156 N4 O16 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","0.7","synchrotron","","","0.1076","","","","0.3477","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152451","11.406","0.0006","7.8884","0.0004","27.0427","0.0014","90","","96.296","0.003","90","","2418.5","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H80 N2 O10 -","- C51 H80 N2 O10 -","- C102 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0865","","","","0.2553","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152452","11.2617","0.0005","7.6842","0.0003","27.7084","0.0012","90","","93.487","0.002","90","","2393.37","0.18","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H80 N2 O10 -","- C52 H80 N2 O10 -","- C104 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.1664","","","","0.475","","","","","","1.327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152453","4.641","0.002","10.535","0.003","15.936","0.004","90","","90","","90","","779.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 F O3 -","- C7 H9 F O3 -","- C28 H36 F4 O12 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0547","0.0448","","","0.1107","0.1151","","","","","","1.052","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152454","8.2716","0.0012","10.4218","0.0018","10.0531","0.0018","90","","106.384","0.013","90","","831.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 F O6 -","- C17 H21 F O6 -","- C34 H42 F2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0303","0.0276","","","0.0786","0.0806","","","","","","1.026","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152455","12.125","0.002","4.8704","0.0015","14.1","0.003","90","","92.283","0.006","90","","832","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H9 Cl O3 -","- C7 H9 Cl O3 -","- C28 H36 Cl4 O12 -","4","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.085","0.0503","","","0.1098","0.1266","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152456","11.185","0.005","11.218","0.01","10.307","0.005","104.76","0.05","91.6","0.04","100.21","0.05","1227.1","1.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl3 N O4 -","- C22 H30 Cl3 N O4 -","- C44 H60 Cl6 N2 O8 -","2","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.54178","CuKα","","0.101","0.0725","","","0.204","0.2327","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152457","9.681","0.003","28.33","0.01","6.26","0.002","90","","90","","90","","1716.9","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.5418","CuKα","","0.1436","0.0735","","","0.1465","0.1915","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152458","22.1832","0.0006","5.8375","0.0002","14.5119","0.0004","90","","105.895","0.0012","90","","1807.36","0.09","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0494","0.0465","","0.121","0.1165","0.121","","","","","","0.9701","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152459","5.7565","0.0002","19.43","0.0008","8.1386","0.0003","90","","96.168","0.002","90","","905.02","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C32 H62 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0433","0.0365","","0.0936","0.0839","0.0936","","","","","","0.9192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152460","7.9717","0.0002","12.5518","0.0003","13.0678","0.0003","90","","95.5854","0.0009","90","","1301.35","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C56 H78 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0457","0.0432","","0.1173","0.1153","0.1173","","","","","","0.9837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152461","9.326","0.0002","13.7383","0.0003","20.3169","0.0006","90","","90","","90","","2603.07","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0451","0.0364","","0.0984","0.089","0.0984","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152462","16.0394","0.0003","16.0394","0.0003","21.4724","0.0006","90","","90","","90","","5524","0.2","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C47 H77 Cl5 O15 -","- C47 H77 Cl5 O15 -","- C188 H308 Cl20 O60 -","4","1","","Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip","The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.","Organic & biomolecular chemistry","2012","10","30","5873","5886","10.1039/c2ob25101a","","","0.71073","MoKα","","0.0637","0.0508","","","0.1168","0.1239","","","","","","1.083","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152463","6.95676","0.00013","12.7545","0.0003","24.6435","0.0005","90","","90","","90","","2186.62","0.08","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O5 S -","- C24 H21 N3 O5 S -","- C96 H84 N12 O20 S4 -","4","1","","Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji","Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.","Organic & biomolecular chemistry","2012","10","30","6074","6086","10.1039/c2ob25111f","","","1.54187","CuKα","","","0.0388","","","","0.0627","","","","","","1.829","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152464","8.831","0.002","9.455","0.003","21.605","0.006","90","","99.62","0.008","90","","1778.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Marek-70 (Bishnu)","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.161","0.0795","","","0.2151","0.2578","","","","","","0.921","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152465","8.032","0.001","9.304","0.001","11.542","0.001","103.644","0.004","92.877","0.004","97.279","0.003","828.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-88 ( Tom)","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.0773","0.0599","","","0.1827","0.1958","","","","","","1.116","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152466","10.09","0.002","30.792","0.006","31.472","0.006","103.63","0.03","91.68","0.03","93.67","0.03","9473","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H94 N12 O4 Zn2 -","- C120 H94 N12 O4 Zn2 -","- C480 H376 N48 O16 Zn8 -","4","2","","Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.","Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.","Organic & biomolecular chemistry","2012","10","30","6045","6053","10.1039/c2ob25147g","","","0.71254","synchrotron","","0.1346","0.0992","","","0.2726","0.3072","","","","","","1.016","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152467","13.087","0.003","13.192","0.002","14.62","0.003","103.23","0.02","107.21","0.03","108.81","0.02","2130.5","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","1","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","1.54178","CuKα","","0.0956","0.0758","","","0.1974","0.216","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152468","25.976","0.005","19.61","0.004","19.93","0.004","90","","126.21","0.03","90","","8191","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound X","","","- C88 H102 Cl6 N6 O6 -","- C88 H102 Cl6 N6 O6 -","- C352 H408 Cl24 N24 O24 -","4","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","0.71073","MoKα","","0.1135","0.0695","","","0.1553","0.1742","","","","","","1.046","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152469","16.478","0.004","17.317","0.004","22.065","0.005","78.786","0.003","78.864","0.003","65.622","0.003","5580","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H119.5 F12 N7.5 O25.5 S4 -","- C107 H118.5 F12 N7.5 O25.5 S4 -","- C214 H237 F24 N15 O51 S8 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1636","0.1114","","","0.3178","0.3647","","","","","","1.291","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152470","20.057","0.003","22.223","0.003","18.474","0.003","90","","109.497","0.002","90","","7762","2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C119 H169 B6 Cd F24 N31 O60 -","- C96 H100 B6 Cd F24 N8 O14 -","- C192 H200 B12 Cd2 F48 N16 O28 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1188","0.0855","","","0.2214","0.2405","","","","","","0.926","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152471","18.248","0.009","20.018","0.01","28.528","0.014","90","","92.355","0.008","90","","10412","9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H158 F24 N18 O47 Ru2 S8 -","- C172 H152 F24 N18 O47 Ru2 S8 -","- C344 H304 F48 N36 O94 Ru4 S16 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.4242","0.2267","","","0.4545","0.5573","","","","","","1.292","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152472","21.417","0.003","25.553","0.003","13.838","0.002","90","","103.228","0.002","90","","7372.2","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H144 F12 N12 O39 S4 -","- C138 H126 F12 N12 O39 S4 -","- C276 H252 F24 N24 O78 S8 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2414","0.1361","","","0.2818","0.3449","","","","","","1.104","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152473","37.627","0.006","12.68","0.002","20.775","0.003","90","","123.038","0.002","90","","8309","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 B2 F8 N8 O24 -","- C76 H76 B2 F8 N2 O12 -","- C304 H304 B8 F32 N8 O48 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1669","0.1216","","","0.3558","0.3818","","","","","","1.259","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152474","12.554","0.004","13.774","0.005","15.329","0.005","80.404","0.005","68.495","0.004","89.969","0.005","2426.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 Cl3 O12 -","- C52 H56 O12 -","- C104 H112 O24 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2106","0.1434","","","0.356","0.3936","","","","","","1.165","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152475","27.729","0.003","16.8628","0.0019","23.505","0.003","90","","106.757","0.001","90","","10524","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H116 F12 N4 O26 S4 -","- C104 H114 F12 N4 O26 S4 -","- C416 H456 F48 N16 O104 S16 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1499","0.109","","","0.291","0.3206","","","","","","1.086","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152476","6.8058","0.0003","8.713","0.0004","13.1696","0.0005","90","","91.746","0.003","90","","780.58","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C30 H44 O6 S2 -","2","1","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0816","0.0621","","","0.1676","0.1852","","","","","","1.102","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152477","8.6495","0.0006","8.6869","0.0006","13.4401","0.0009","72.062","0.004","89.472","0.004","85.803","0.005","958.09","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","2","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0852","0.0709","","","0.2023","0.2362","","","","","","1.107","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152478","9.3018","0.0003","16.8469","0.0005","25.9616","0.0008","90","","90","","90","","4068.4","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C176 H162 Br4 Cu4 Fe4 N6 P8 -","2","0.5","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0811","0.0566","","","0.1375","0.1487","","","","","","1.072","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152479","36.714","0.004","36.714","0.004","15.1151","0.0015","90","","90","","120","","17644","3","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C46 H32 O2 -","- C46 H32 O2 -","- C828 H576 O36 -","18","1","","Fort, Eric H.; Scott, Lawrence T.","Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.","Organic & biomolecular chemistry","2012","10","30","5747","5749","10.1039/c2ob25208b","","","0.71073","MoKα","","0.0874","0.0628","","","0.1718","0.1886","","","","","","1.069","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152480","17.8976","0.0004","11.2875","0.0003","18.4543","0.0005","90","","95.4952","0.0012","90","","3710.99","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 3-(3-(3-(but-3-en-1-yl)-3-(3-(2-(tert-butoxy)-2-oxoethoxy) -5-isopropoxybenzoyl)ureido)-4-isopropoxyphenyl)propanoate","","- C37 H52 N2 O9 -","- C37 H52 N2 O9 -","- C148 H208 N8 O36 -","4","1","","Thompson, Sam; Hamilton, Andrew D.","Amphiphilic α-helix mimetics based on a benzoylurea scaffold.","Organic & biomolecular chemistry","2012","10","30","5780","5782","10.1039/c2ob25273b","","","0.71073","MoKα","","0.1212","0.0612","","0.0788","0.0524","0.0478","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152481","8.8237","0.0007","12.5753","0.0009","24.9768","0.0016","83.919","0.006","83.43","0.006","69.943","0.007","2579.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N7 O4 -","- C26 H25 N7 O4 -","- C104 H100 N28 O16 -","4","2","","Shafran, Yuri; Rozin, Yuri; Beryozkina, Tetyana; Zhidovinov, Sergei; Eltsov, Oleg; Subbotina, Julia; Leban, Johann; Novikova, Rashida; Bakulev, Vasiliy","Self condensation of enamines mediated by acetylation. A novel approach to 1-(azol-5-yl)-(1E,3Z)-butadiene-4-N,N-dimethylamines.","Organic & biomolecular chemistry","2012","10","30","5795","5798","10.1039/c2ob25331c","","","0.71073","MoKα","","0.1135","0.0408","","","0.0751","0.0814","","","","","","1","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152482","4.9211","0.0003","12.5759","0.0008","23.0138","0.0015","90","","90","","90","","1424.26","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0815","0.0784","","","0.1707","0.1722","","","","","","1.784","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152483","17.193","0.004","4.8775","0.0012","17.519","0.004","90","","102.213","0.014","90","","1435.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N3 O2 -","- C18 H16 N3 O2 -","- C72 H64 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.1448","0.0553","","","0.1221","0.1628","","","","","","0.929","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152484","4.9819","0.0005","6.5576","0.0006","28.039","0.003","90","","90","","90","","916.01","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0462","0.0366","","","0.0897","0.0933","","","","","","1.058","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152485","11.1962","0.001","13.6978","0.0016","20.614","0.002","87.116","0.007","76.553","0.007","68.06","0.007","2849.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O10 -","- C28 H29 N5 O10 -","- C112 H116 N20 O40 -","4","2","","Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.","The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.","Organic & biomolecular chemistry","2012","10","30","6105","6111","10.1039/c2ob25419k","","","1.54178","CuKα","","0.1353","0.1066","","","0.2549","0.2805","","","","","","0.999","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152486","8.549","0.004","8.811","0.004","14.226","0.006","88.044","0.016","87.18","0.019","85.651","0.018","1066.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C44 H54 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.066","0.0611","","","0.2191","0.2317","","","","","","1.99","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152487","8.5986","0.0008","9.3898","0.001","26.681","0.003","90","","90.782","0.003","90","","2154","0.4","169","2","169","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C88 H108 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0719","0.0564","","","0.1369","0.1436","","","","","","1.082","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152488","6.8683","0.0012","9.2342","0.0015","10.5078","0.0019","111.922","0.004","90.897","0.004","96.504","0.004","613.06","0.18","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0528","0.0436","","","0.1227","0.1339","","","","","","1.114","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152489","10.301","0.005","8.437","0.004","23.76","0.011","90","","100.05","0.04","90","","2033.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0595","0.049","","","0.1535","0.1622","","","","","","1.262","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152490","7.3141","0.0014","11.871","0.003","12.579","0.002","72.852","0.01","83.715","0.008","89.902","0.011","1036.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O9 -","- C22 H25 N O9 -","- C44 H50 N2 O18 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","x-ray","0.71075","MoKα","","0.0536","0.0445","","","0.1155","0.1277","","","","","","1.068","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152491","14.467","0.006","9.266","0.003","15.337","0.004","90","","96.767","0.016","90","","2041.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0638","0.0577","","","0.2092","0.2153","","","","","","1.795","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152492","8.4243","0.0018","8.6769","0.0016","9.173","0.0017","108.968","0.005","103.816","0.006","94.519","0.006","606.8","0.2","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0467","0.0406","","","0.1068","0.11","","","","","","1.057","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152493","13.062","0.0011","12.0982","0.0008","16.2166","0.0013","90","","90","","90","","2562.7","0.3","169","2","169","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0562","0.044","","","0.1169","0.1234","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152494","7.573","0.006","8.394","0.005","18.258","0.012","87.48","0.02","83.12","0.03","69.44","0.03","1078.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C44 H50 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.1636","0.1503","","","0.444","0.4465","","","","","","2.821","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152495","7.633","0.002","8.046","0.002","14.859","0.005","77.08","0.02","88.83","0.02","62.32","0.02","784","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.2177","0.1039","","","0.2413","0.3108","","","","","","0.96","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152496","10.7772","0.0008","6.5073","0.0005","25.4062","0.0019","90","","90.353","0.006","90","","1781.7","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O4 -","- C19 H21 Br O4 -","- C76 H84 Br4 O16 -","4","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.0572","0.0528","","","0.1355","0.1394","","","","","","1.005","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152497","8.8972","0.0002","12.2375","0.0003","12.7413","0.0003","90","","90","","90","","1387.27","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.064","0.0451","","","0.1149","0.1196","","","","","","0.964","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152498","8.1642","0.0003","12.0184","0.0005","14.2772","0.0005","90","","90","","90","","1400.89","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.0487","0.0374","","","0.0907","0.0935","","","","","","0.973","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152499","30.181","0.003","9.9266","0.0008","14.6281","0.0012","90","","118.99","","90","","3833.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C160 H256 B16 N16 -","8","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0432","0.038","","","0.101","0.1051","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152500","8.6278","0.0007","11.1348","0.0008","13.2544","0.001","71.123","0.001","89.295","0.001","87.433","0.001","1203.64","0.16","247","2","247","2","","","","","","","","4","P -1","-P 1","2","BBN-picoline-dimer","","","- C28 H40 B2 N2 -","- C28 H40 B2 N2 -","- C56 H80 B4 N4 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.1029","0.0511","","","0.1161","0.1372","","","","","","1.028","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152501","20.0937","0.0016","9.9331","0.0008","15.1773","0.0012","90","","112.871","0.001","90","","2791.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diphenylboronpicoline-dimer","","","- C36 H32 B2 N2 -","- C36 H32 B2 N2 -","- C144 H128 B8 N8 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0501","0.0363","","","0.0827","0.0907","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152502","19.7442","0.0008","8.9337","0.0004","16.7141","0.0007","90","","103.467","0.001","90","","2867.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borafluorenylpicoline-CH3CN-solvate","","","- C38 H26 B2 N3 -","- C38 H26 B2 N3 -","- C152 H104 B8 N12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0656","0.0531","","","0.1483","0.1596","","","","","","1.044","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152503","10.166","0.004","13.303","0.006","15.011","0.006","90","","90","","90","","2030.1","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","diethylboronpicoline-LiOMe-TMEDA","","","- C17 H35 B Li N3 O -","- C17 H35 B Li N3 O -","- C68 H140 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0446","0.041","","","0.1014","0.1044","","","","","","1.105","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152504","9.537","0.002","19.523","0.005","11.571","0.003","90","","91.102","0.003","90","","2154","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BBN-picoline-LiOMe-TMEDA","","","- C21 H39 B Li N3 O -","- C21 H39 B Li N3 O -","- C84 H156 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0974","0.0915","","","0.2621","0.2649","","","","","","1.292","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152505","9.1997","0.0005","10.062","0.0005","13.7746","0.0007","75.513","0.001","85.615","0.001","66.257","0.001","1129.62","0.1","101","2","101","2","","","","","","","","6","P -1","-P 1","2","BBNpicoline-LiOMe-2THF","","","- C23 H39 B Li N O3 -","- C23 H39 B Li N O3 -","- C46 H78 B2 Li2 N2 O6 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0708","0.0585","","","0.1394","0.1486","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152506","7.4473","0.0004","9.7852","0.0006","20.4386","0.0012","90","","90","","90","","1489.43","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzaldehyde","","","- C17 H21 B N2 -","- C17 H21 B N2 -","- C68 H84 B4 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0324","0.0288","","","0.0676","0.0696","","","","","","1.052","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152507","10.285","0.002","24.538","0.005","10.285","0.002","90","","93.67","","90","","2590.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylboronpicoline-13dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0692","0.0409","","","0.0993","0.1104","","","","","","0.94","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152508","6.7145","0.0004","15.9589","0.0009","23.1949","0.0013","90","","90","","90","","2485.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","diethylboronpicoline-14dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0568","0.0399","","","0.0892","0.0986","","","","","","1.015","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152509","8.6575","0.0005","14.9677","0.0009","14.9962","0.0009","90","","90","","90","","1943.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzophenone","","","- C23 H26 B N O -","- C23 H26 B N O -","- C92 H104 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0289","0.0275","","","0.068","0.0691","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152510","8.2474","0.0006","18.4202","0.0013","11.0654","0.0008","90","","97.891","0.001","90","","1665.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-2chloroacetophenone","","","- C18 H23 B Cl N O -","- C18 H23 B Cl N O -","- C72 H92 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0417","0.0341","","","0.0838","0.0879","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152511","13.0246","0.0011","7.6223","0.0007","16.3135","0.0014","90","","91.507","0.001","90","","1619","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","diethylboronpicoline-4Chlorobenzaldehyde","","","- C17 H21 B Cl N O -","- C17 H21 B Cl N O -","- C68 H84 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0354","0.0333","","","0.086","0.0874","","","","","","0.984","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152512","9.2247","0.001","16.045","0.0018","10.9529","0.0012","90","","93.999","0.001","90","","1617.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-4nitrobenzaldehyde","","","- C17 H21 B N2 O3 -","- C17 H21 B N2 O3 -","- C68 H84 B4 N8 O12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0639","0.0568","","","0.1399","0.1454","","","","","","0.902","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152513","8.3937","0.0006","10.2137","0.0007","11.238","0.0012","108.665","0.001","102.699","0.001","100.782","0.001","855.21","0.12","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diethylboronpicoline-4trifluorotolualdehyde","","","- C18 H21 B F3 N O -","- C18 H21 B F3 N O -","- C36 H42 B2 F6 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0402","0.0351","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152514","8.2346","0.001","8.449","0.001","20.337","0.002","90","","99.733","0.002","90","","1394.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-crotonaldehyde","","","- C14 H22 B N O -","- C14 H22 B N O -","- C56 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.071","0.0436","","","0.0842","0.0947","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152515","8.4677","0.0004","11.4989","0.0005","14.424","0.0007","90","","101.503","0.001","90","","1376.24","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BBNpicoline-n,n-dimethylacetamide","","","- C16 H22 B N O -","- C16 H22 B N O -","- C64 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0395","0.0353","","","0.0842","0.0879","","","","","","0.972","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152516","10.5949","0.0007","7.6737","0.0005","24.2686","0.0016","90","","100.587","0.001","90","","1939.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diphenylboronpicoline-acetonitrile","","","- C21 H21 B Cl2 N2 -","- C21 H21 B Cl2 N2 -","- C84 H84 B4 Cl8 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0532","0.0346","","","0.0806","0.0894","","","","","","1.074","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152517","17.8677","0.0008","20.0262","0.0009","10.9651","0.0005","90","","102.768","0.001","90","","3826.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diphenylboronpicoline-benzonitrile","","","- C25 H21 B N2 -","- C25 H21 B N2 -","- C200 H168 B8 N16 -","8","2","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0462","0.0346","","","0.0833","0.0917","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152518","8.4273","0.0008","10.2028","0.0009","12.7409","0.0012","95.769","0.001","105.923","0.001","104.904","0.001","1000.62","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diphenylboronpicoline-4chlorobenzaldehyde","","","- C25 H21 B Cl N O -","- C25 H21 B Cl N O -","- C50 H42 B2 Cl2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0558","0.0434","","","0.1015","0.1085","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152519","8.4944","0.0004","9.8689","0.0005","10.9392","0.0006","63.499","0.001","87.637","0.001","81.64","0.001","811.67","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","diphenylboronpicoline-n,n-dimethylacetamide","","","- C20 H18 B N O -","- C20 H18 B N O -","- C40 H36 B2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0399","0.0337","","","0.0854","0.0901","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152520","38.885","0.002","7.5009","0.0004","24.1696","0.0013","90","","123.084","0.002","90","","5906.7","0.6","100","2","","","","","","","","","Dipeptide synthesized according to Mutters procedure followed by acylation with the Fmoc alanine fluoride.","4","C 1 2 1","C 2y","5","","Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu","","- C60 H74 N6 O14 -","- C60 H74 N6 O14 -","- C240 H296 N24 O56 -","4","1","","Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz","4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.","Organic & biomolecular chemistry","2012","10","33","6705","6716","10.1039/c2ob25732g","","","","","","0.0647","0.0608","","","0.1712","0.1763","","","","","","","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152521","14.9433","0.0004","16.7585","0.0004","17.4804","0.0004","109.705","0.001","98.331","0.001","112.991","0.001","3595.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H86 Cl6 O9 Se6 -","- C65 H86 Cl6 O9 Se6 -","- C130 H172 Cl12 O18 Se12 -","2","1","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0701","0.0497","","","0.1095","0.1188","","","","","","1.033","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152522","28.31","0.004","28.31","0.004","14.618","0.003","90","","90","","90","","11716","3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60 H88 O6 Se4 -","- C60 H88 O6 Se4 -","- C480 H704 O48 Se32 -","8","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.0539","0.0364","","","0.0844","0.0928","","","","","","1.079","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152523","13.801","0.007","27.671","0.012","31.568","0.016","90","","93.689","0.014","90","","12030","10","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Ag F3 O7 S Se4 -","- C53 H72 Ag F3 O7 S Se4 -","- C424 H576 Ag8 F24 O56 S8 Se32 -","8","2","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.094","0.0837","","","0.1718","0.1779","","","","","","1.071","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152524","13.994","0.002","13.994","0.002","14.223","0.003","90","","90","","90","","2785.3","0.8","100","2","100","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C52 H72 Ag F6 O4 P Se4 -","- C52 H72 Ag F6 O4 P Se4 -","- C104 H144 Ag2 F12 O8 P2 Se8 -","2","0.25","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.1032","0.0512","","","0.0887","0.0937","","","","","","0.988","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152525","10.8677","0.0013","12.6155","0.001","26.392","0.005","90","","95.784","0.008","90","","3600","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 Cl6 O8 Se4 -","- C64 H90 Cl6 O8 Se4 -","- C128 H180 Cl12 O16 Se8 -","2","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0548","0.0456","","","0.1082","0.1137","","","","","","1.055","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152526","12.8286","0.0007","12.1802","0.0007","11.4263","0.0006","90","","111.313","0.001","90","","1663.31","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,4aS*,10aS*)-1-(3,4-dimethoxyphenyl)-1,3,4,4a,10,10a-hexahydropyrano [4,3-b]chromene","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Subba Reddy, B. V.; Jalal, Sayed; Borkar, Prashant; Yadav, J. S.; Reddy, P. P.; Kunwar, A. C.; Sridhar, B.","The stereoselective synthesis of cis-/trans-fused hexahydropyrano[4,3-b]chromenes via Prins cyclization trapping by a tethered nucleophile.","Organic & biomolecular chemistry","2012","10","32","6562","6568","10.1039/c2ob25771h","","","0.71073","MoKα","","0.0358","0.0327","","","0.09","0.0938","","","","","","1.047","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152527","11.086","0.002","12.727","0.003","13.649","0.003","73.23","0.03","84.08","0.03","83.37","0.03","1826.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","2","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.0755","0.0655","","","0.13","0.1364","","","","","","1.143","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152528","8.8707","0.0018","10.082","0.002","18.499","0.004","90","","90","","90","","1654.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N3 O2 -","- C15 H18 Br N3 O2 -","- C60 H72 Br4 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.1173","0.0398","","","0.0521","0.061","","","","","","0.735","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152529","11.082","0.002","8.7","0.0017","16.612","0.003","90","","100.67","0.03","90","","1573.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.137","0.0598","","","0.1324","0.1391","","","","","","1.008","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152530","9.869","0.002","14.785","0.003","16.173","0.003","90","","95.51","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-phenoxyphenyl)-1,5-naphthyridine","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1729","0.0756","","","0.1411","0.1725","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152531","8.942","0.0018","10.249","0.002","21.626","0.004","90","","96.87","0.03","90","","1967.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,8-bis(9,9-dibutyl-9H-fluoren-2-yl)-1,5-naphthyridine","","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1535","0.0766","","","0.1626","0.1974","","","","","","1.005","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152532","11.973","0.002","7.802","0.0016","12.534","0.003","90","","102.95","0.03","90","","1141.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-(tert-butyl)phenyl)-1,5-naphthyridine","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.181","0.0759","","","0.1069","0.134","","","","","","1.002","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152533","8.9397","0.0006","11.7671","0.0008","17.0494","0.0012","96.72","0.003","97.088","0.003","103.4","0.003","1711.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.055","","","0.1548","0.177","","","","","","1.065","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152534","9.0853","0.0007","9.0853","0.0007","23.592","0.004","90","","90","","90","","1947.3","0.4","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0592","","","0.1586","0.1862","","","","","","1.045","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152535","12.4785","0.0004","13.3392","0.0005","10.0137","0.0004","90","","103.019","0.002","90","","1623.97","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0386","","","0.1052","0.1113","","","","","","1.046","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152536","12.0158","0.0005","9.3261","0.0004","14.7056","0.0006","90","","98.3","0.003","90","","1630.66","0.12","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O S -","- C18 H16 Br N O S -","- C72 H64 Br4 N4 O4 S4 -","4","1","","Bertolasi, Valerio; Bortolini, Olga; Donvito, Adelaide; Fantin, Giancarlo; Fogagnolo, Marco; Giovannini, Pier Paolo; Massi, Alessandro; Pacifico, Salvatore","Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones.","Organic & biomolecular chemistry","2012","10","32","6579","6586","10.1039/c2ob25928a","","","0.71073","MoKα","","0.0688","0.0438","","","0.0982","0.1098","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152537","26.031","0.0009","5.2668","0.0002","25.435","0.0011","90","","114.261","0.002","90","","3179.2","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.1318","0.0664","","","0.1323","0.1602","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152538","11.123","0.005","7.632","0.004","12.7","0.005","90","","90.39","0.01","90","","1078.1","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.0847","0.0534","","","0.1428","0.1896","","","","","","0.789","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152539","17.055","0.003","7.5478","0.0012","19.591","0.003","90","","100.937","0.002","90","","2476.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C116 H104 N16 O12 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.0742","0.0614","","","0.1782","0.1871","","","","","","1.043","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152540","10.988","0.01","7.353","0.007","29.7","0.03","90","","95.027","0.008","90","","2390","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O5 -","- C27 H24 F3 N3 O5 -","- C108 H96 F12 N12 O20 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.2693","0.2297","","","0.6078","0.6335","","","","","","2.681","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152541","10.8328","0.0006","12.7806","0.0008","13.3203","0.0006","72.909","0.005","79.316","0.004","71.622","0.006","1664.08","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F3 N3 O6 Si -","- C34 H40 F3 N3 O6 Si -","- C68 H80 F6 N6 O12 Si2 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0544","0.041","","","0.0919","0.1012","","","","","","1.031","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152542","8.0807","0.0003","11.5619","0.0005","12.786","0.0005","79.423","0.003","86.322","0.003","82.872","0.003","1164.15","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0429","0.0348","","","0.0996","0.102","","","","","","1.122","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152543","13.9615","0.0006","6.7669","0.0002","19.4128","0.0008","90","","100.967","0.004","90","","1800.55","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.05","0.0402","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152544","8.0564","0.0005","14.5528","0.0008","15.2944","0.0008","61.687","0.002","87.605","0.002","88.859","0.002","1577.27","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Benzamide","","","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","1","0.5","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1102","0.0518","","","0.1092","0.1316","","","","","","0.977","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152545","9.0441","0.0007","13.9383","0.001","17.5956","0.0012","90","","99.421","0.004","90","","2188.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamide","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1298","0.0743","","","0.2001","0.2362","","","","","","1.024","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152546","7.938","0.003","23.823","0.004","9.277","0.003","90","","104.96","0.03","90","","1694.9","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan","Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.","Organic & biomolecular chemistry","2012","10","34","6866","6875","10.1039/c2ob25392e","","x-ray","0.71073","MoKα","","0.1709","0.0528","","","0.1158","0.1479","","","","","","0.888","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152547","5.7061","0.0005","17.048","0.0015","18.4614","0.0016","90","","90","","90","","1795.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0231","0.0228","","","0.0637","0.064","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152548","8.4384","0.0003","5.3564","0.0002","16.3563","0.0005","90","","93.619","0.002","90","","737.82","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0587","0.0435","","","0.1099","0.1189","","","","","","1.048","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152549","11.135","0.002","11.251","0.002","14.491","0.003","106.087","0.004","90.501","0.004","114.229","0.004","1575.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O10 S2 -","- C33 H32 N2 O10 S -","- C66 H64 N4 O20 S2 -","2","1","","Medina, Sandra; González-Gómez, Alvaro; Domínguez, Gema; Pérez-Castells, Javier","Medium-sized and strained heterocycles from non-catalysed and gold-catalysed conversions of β-carbolines.","Organic & biomolecular chemistry","2012","10","35","7167","7176","10.1039/c2ob25755f","","","0.71073","MoKα","","0.2642","0.0754","","","0.1846","0.2485","","","","","","0.805","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152550","10.39","0.002","17.643","0.003","8.429","0.002","92.81","0.02","113.88","0.01","90.83","0.01","1410.2","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","C31 H31 Br1 O2 Sn1","","","- C31 H31 Br O2 Sn -","- C31 H31 Br O2 Sn -","- C62 H62 Br2 O4 Sn2 -","2","1","","Hobson, Lindsay A.; Thomas, Eric J.","Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.","Organic & biomolecular chemistry","2012","10","37","7510","7526","10.1039/c2ob25765c","","","0.7107","MoKα","","0.0853","0.0403","","0.0473","0.0381","","","","1.744","1.724","1.724","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152551","10.7933","0.0014","16.163","0.002","13.5195","0.0019","90","","94.48","0.004","90","","2351.3","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H66 O6 Si3 -","- C43 H66 O6 Si3 -","- C86 H132 O12 Si6 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2282","0.1046","","","0.2684","0.3501","","","","","","1.024","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152552","14.316","0.003","15.96","0.004","16.397","0.004","90","","90","","90","","3746.4","1.5","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O8 Si2 -","- C34 H52 O8 Si2 -","- C136 H208 O32 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.1459","0.0784","","","0.2038","0.2354","","","","","","1.3","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152553","14.2378","0.0013","16.4937","0.0016","19.1231","0.0019","90","","90","","90","","4490.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O7 Si2 -","- C41 H59 N O7 Si2 -","- C164 H236 N4 O28 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.2039","0.0582","","","0.1235","0.1856","","","","","","0.997","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152554","10.1116","0.001","16.5521","0.0016","13.8615","0.0013","90","","99.705","0.003","90","","2286.8","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H65 N O6 Si2 -","- C46 H65 N O6 Si2 -","- C92 H130 N2 O12 Si4 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.0864","0.0439","","","0.0907","0.1052","","","","","","0.992","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152555","10.734","0.002","11.293","0.002","11.423","0.002","110.54","0.03","90.72","0.03","108.91","0.03","1214.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","1","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.1701","0.0814","","","0.2259","0.3089","","","","","","1.003","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152556","7.4889","0.0015","12.379","0.003","45.45","0.009","90","","90.04","0.03","90","","4213.4","1.6","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H61 N O6 Si2 -","- C40 H61 N O6 Si2 -","- C160 H244 N4 O24 Si8 -","4","2","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2755","0.1152","","","0.281","0.3674","","","","","","1.013","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152557","9.8965","0.0017","8.9206","0.0015","11.355","0.002","90","","113.274","0.002","90","","920.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C40 H44 Br2 N2 O6 -","2","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.049","0.0438","","","0.1007","0.102","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152558","10.0288","0.0013","15.96","0.002","16.609","0.002","90","","90","","90","","2658.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.0297","0.0291","","","0.0733","0.074","","","","","","1.039","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152559","16.8468","0.0003","14.7846","0.0002","24.5438","0.0004","90","","90","","90","","6113.2","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0489","0.0421","","","0.1072","0.1109","","","","","","1.075","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152560","24.4208","0.0004","11.8609","0.0002","29.0741","0.0005","90","","118","0.001","90","","7435.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H180 B8 Cl4 F16 N16 -","- C160.005 H180.004 B8 Cl4.0008 F16 N16 -","- C320.01 H360.008 B16 Cl8.0016 F32 N32 -","2","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0552","0.0438","","","0.1236","0.1326","","","","","","1.177","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152561","16.5658","0.0016","15.3933","0.0015","14.378","0.0012","90","","95.115","0.004","90","","3651.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B2 Cl3 F4 N4 -","- C39 H37 B2 Cl3 F4 N4 -","- C156 H148 B8 Cl12 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1747","0.0951","","","0.1861","0.2128","","","","","","1.039","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152562","13.753","0.003","13.11","0.003","25.759","0.005","90","","119.635","0.003","90","","4036.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C160 H152 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.0784","0.06","","","0.1569","0.1722","","","","","","1.078","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152563","11.0884","0.0003","23.5088","0.0009","13.9282","0.0005","90","","102.606","0.0014","90","","3543.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 B2 F4 N4 -","- C39 H44 B2 F4 N4 -","- C156 H176 B8 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1076","0.0785","","","0.1978","0.2203","","","","","","1.059","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152564","7.944","0.003","10.964","0.004","13.432","0.004","98.902","0.013","93.514","0.013","104.888","0.014","1110.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.71075","MoKα","","0.1916","0.1653","","","0.3905","0.3974","","","","","","1.233","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152565","11.3126","0.0002","29.2235","0.0006","17.1103","0.0003","90","","92.3136","0.0011","90","","5651.95","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B2 Cl6 F4 N4 -","- C60 H62 B2 Cl6 F4 N4 -","- C240 H248 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0817","0.0667","","","0.1806","0.1916","","","","","","1.064","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152566","11.247","0.004","27.084","0.009","17.815","0.006","90","","94.678","0.006","90","","5409","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H65 B2 Cl F4 N4 -","- C64 H65 B2 Cl F4 N4 -","- C256 H260 B8 Cl4 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.086","0.0619","","","0.1394","0.1538","","","","","","1.082","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152567","12.9946","0.0003","13.0045","0.0003","17.9199","0.0004","74.7391","0.0008","88.1657","0.0009","62.091","0.001","2566.87","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0595","0.0554","","","0.1527","0.1572","","","","","","1.085","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152568","24.4208","0.0005","11.8609","0.0003","27.8392","0.0005","90","","112.763","0.0008","90","","7435.7","0.3","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","2","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0547","0.0455","","","0.126","0.1302","","","","","","1.135","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152569","9.0943","0.001","11.3949","0.0012","16.064","0.0018","90.442","0.002","97.86","0.002","94.117","0.002","1644.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl2 N2 O5 S2 -","- C33 H30 Cl2 N2 O5 S2 -","- C66 H60 Cl4 N4 O10 S4 -","2","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.0734","0.056","","","0.1503","0.1631","","","","","","1.057","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152570","13.424","0.002","9.9313","0.0018","20.607","0.004","90","","92.308","0.004","90","","2745.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br N O3 S -","- C31 H26 Br N O3 S -","- C124 H104 Br4 N4 O12 S4 -","4","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.179","0.0841","","","0.1619","0.1948","","","","","","1.034","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152571","11.4072","0.0009","10.0831","0.0004","10.674","0.0009","90","","117.075","0.011","90","","1093.18","0.17","150","","150","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N12 -","- C20 H28 N12 -","- C40 H56 N24 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.54184","CuKα","","0.0876","0.083","","0.2574","0.2523","0.2574","","","","","","1.0816","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152572","5.5624","0.0002","9.412","0.0003","12.0631","0.0005","76.0194","0.0016","86.5052","0.0015","81.839","0.002","606.4","0.04","150","","150","","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C26 H24 N12 -","- C26 H24 N12 -","- C26 H24 N12 -","1","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.0692","0.0459","","0.1475","0.1185","0.1475","","","","","","0.9471","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152573","16.4629","0.001","10.8655","0.0008","15.7413","0.0011","90","","107.516","0.004","90","","2685.2","0.3","150","","150","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N12 O3 -","- C26 H30 N12 O3 -","- C104 H120 N48 O12 -","4","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.1124","0.0611","","0.1504","0.1206","0.1504","","","","","","0.995","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152574","7.67099","0.00016","18.1327","0.0005","14.7503","0.0003","90","","90.726","0.002","90","","2051.54","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B4 F16 N14 -","- C28 H46 B4 F16 N14 -","- C56 H92 B8 F32 N28 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.5418","CuKα","","0.0608","0.0463","","0.0826","0.0737","0.0826","","","","","","0.9762","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152575","25.438","0.002","10.671","0.0005","7.125","0.0002","90","","90","","90","","1934.07","0.19","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","(meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride","","- C21 H28 Cl N -","- C21 H28 Cl N -","- C84 H112 Cl4 N4 -","4","","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","1.54187","CuKα","","0.0718","0.0544","","","0.1467","0.1763","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152576","8.806","0.004","11.377","0.005","26.118","0.008","90","","90","","90","","2616.7","1.8","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","0.5","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","0.71069","MoKα","","0.0885","0.0635","","","0.1708","0.1925","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152577","9.0546","0.0007","13.7185","0.001","16.4462","0.0012","103.527","0.002","90.913","0.001","100.227","0.001","1951.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C90 H60 N12 O18 -","6","3","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0811","0.0465","","","0.1457","0.1867","","","","","","1.01","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152578","8.6348","0.0006","14.476","0.0006","10.0498","0.0005","90","","101.186","0.005","90","","1232.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 O3 -","- C15 H8 N2 O3 -","- C60 H32 N8 O12 -","4","1","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0555","0.0378","","","0.0908","0.101","","","","","","1.023","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152579","6.6502","0.0019","8.0811","0.0019","18.466","0.005","80.28","0.03","84.36","0.03","66.24","0.03","894.7","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.1034","0.0579","","","0.1443","0.1664","","","","","","0.9","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152580","9.7328","0.001","11.2756","0.0008","35.715","0.004","90","","90","","90","","3919.5","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O2 Si2 -","- C20 H22 O2 Si2 -","- C160 H176 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0639","0.0402","","","0.1021","0.1109","","","","","","1.014","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152581","20.5765","0.0009","11.1441","0.0005","8.1245","0.0004","90","","98.927","0.001","90","","1840.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0553","0.0422","","","0.1121","0.1216","","","","","","1.072","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152582","60.024","0.005","11.4478","0.0008","8.7407","0.0006","90","","95.534","0.004","90","","5978.1","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 O3 Si2 -","- C20 H22 O3 Si2 -","- C240 H264 O36 Si24 -","12","3","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0688","0.0549","","","0.1359","0.1458","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152583","14.635","0.004","10.5599","0.0016","11.643","0.003","90","","94.5","0.03","90","","1793.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Si3 -","- C14 H26 Si3 -","- C56 H104 Si12 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0719","0.0425","","","0.0981","0.1084","","","","","","0.913","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152584","6.227","0.0008","10.0764","0.0018","14.0512","0.0019","90","","91.347","0.016","90","","881.4","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O Si3 -","- C13 H24 O Si3 -","- C26 H48 O2 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0585","0.0433","","","0.1094","0.1232","","","","","","1.053","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152585","12.8871","0.0017","8.8099","0.0011","14.4156","0.0014","90","","116.374","0.012","90","","1466.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 Si2 -","- C13 H20 O2 Si2 -","- C52 H80 O8 Si8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0541","0.0446","","","0.1194","0.1252","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152586","17.973","0.004","5.5806","0.0008","27.605","0.006","90","","90.75","0.03","90","","2768.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C96 H144 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.108","","","","","","1.104","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152587","10.3734","0.0006","11.1736","0.0007","36.103","0.002","90","","90","","90","","4184.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C176 H192 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0634","0.0469","","","0.1125","0.1229","","","","","","1.03","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152588","24.717","0.002","4.8349","0.0004","15.6744","0.0013","90","","113.833","0.002","90","","1713.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 I N O2 -","- C6 H10 I N O2.25 -","- C48 H80 I8 N8 O18 -","8","2","","Deshmukh, Sharad Chandrakant; Roy, Arundhati; Talukdar, Pinaki","Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues.","Organic & biomolecular chemistry","2012","10","37","7536","7544","10.1039/c2ob26007g","","","0.71073","MoKα","","0.037","0.03","","","0.0674","0.0716","","","","","","0.904","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152589","9.0684","0.0018","14.326","0.003","15.214","0.003","83.83","0.03","89.85","0.03","89.66","0.03","1965","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N7 O6 -","- C44 H39 N7 O6 -","- C88 H78 N14 O12 -","2","1","","Zhang, Yuping; Jiang, Shimei","Fluoride-responsive gelator and colorimetric sensor based on simple and easy-to-prepare cyano-substituted amide.","Organic & biomolecular chemistry","2012","10","34","6973","6979","10.1039/c2ob26016f","","","0.71073","MoKα","","0.1633","0.0778","","","0.1998","0.2352","","","","","","1.019","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152590","8.157","0.0006","10.1367","0.0007","10.8698","0.0008","90","","101.185","0.001","90","","881.7","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sbudh01","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0351","0.0322","","","0.0931","0.0954","","","","","","1.077","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152591","7.8267","0.0006","11.7766","0.0008","26.1425","0.0019","90","","90","","90","","2409.6","0.3","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sbudh02","","","- C13 H13 D3 N2 O5 -","- C13 H13 D3 N2 O5 -","- C104 H104 D24 N16 O40 -","8","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0577","0.0434","","","0.1174","0.1236","","","","","","1.053","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152592","5.276","0.0012","14.278","0.003","17.698","0.004","90","","90","","90","","1333.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C44 H48 Br4 N4 O12 S4 -","4","1","","Yang, Wen; Du, Da-Ming","Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes.","Organic & biomolecular chemistry","2012","10","34","6876","6884","10.1039/c2ob26068a","","","0.71073","MoKα","","0.0477","0.0316","","","0.0263","0.0278","","","","","","0.783","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152593","7.5526","0.0011","8.7285","0.0013","17.68","0.003","85.539","0.003","82.149","0.003","87.533","0.003","1150.5","0.3","291","2","291","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H35 O3 Si -","- C23 H35 O3 Si -","- C46 H70 O6 Si2 -","2","1","","Mehta, Goverdhan; Samineni, Ramesh; Srihari, Pabbaraja; Reddy, R. Gajendra; Chakravarty, Sumana","Diverted organic synthesis (DOS): accessing a new, natural product inspired, neurotrophically active scaffold through an intramolecular Pauson-Khand reaction.","Organic & biomolecular chemistry","2012","10","34","6830","6833","10.1039/c2ob26107c","","","0.71073","MoKa","","0.19","0.1084","","","0.2088","0.243","","","","","","1.07","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152594","10.026","0.004","12.876","0.004","21.444","0.007","90","","90","","90","","2768.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F6 O6 S -","- C28 H24 F6 O6 S -","- C112 H96 F24 O24 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1436","0.0613","","","0.1065","0.136","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152595","10.186","0.003","12.692","0.004","10.984","0.003","90","","93.75","0.02","90","","1417","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 F6 O6 S -","- C28 H22 F6 O6 S -","- C56 H44 F12 O12 S2 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1793","0.0626","","","0.0912","0.1215","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152596","6.783","0.002","16.637","0.006","23.581","0.009","90","","90","","90","","2661.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F6 O7 -","- C28 H22 F6 O7 -","- C112 H88 F24 O28 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","1.54178","CuKα","","0.1033","0.069","","","0.1732","0.2055","","","","","","1.021","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152597","10.0397","0.0008","7.5575","0.0006","20.5113","0.0015","90","","97.104","0.002","90","","1544.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B Br O2 -","- C15 H20 B Br O2 -","- C60 H80 B4 Br4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0563","0.0369","","","0.0892","0.099","","","","","","1.036","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152598","12.1475","0.0011","6.0763","0.0006","24.653","0.002","90","","90.38","0.003","90","","1819.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O2 -","- C19 H29 B O2 -","- C76 H116 B4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0651","0.0494","","","0.1186","0.1302","","","","","","1.056","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152599","7.6581","0.0001","8.0433","0.0002","50.1404","0.0007","90","","90","","90","","3088.47","0.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","1","","Jiang, Xin-Dong; Gao, Ruina; Yue, Yi; Sun, Guo-Tao; Zhao, Weili","A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties.","Organic & biomolecular chemistry","2012","10","34","6861","6865","10.1039/c2ob26218e","","","0.71073","MoKα","","0.1188","0.0937","","","0.2036","0.216","","","","","","1.152","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152600","8.8228","0.0003","20.4039","0.0007","9.9068","0.0004","90","","106.586","0.002","90","","1709.21","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Börger, Carsten; Kataeva, Olga; Knölker, Hans-Joachim","Novel approach to biscarbazole alkaloids via Ullmann coupling - synthesis of murrastifoline-A and bismurrayafoline-A.","Organic & biomolecular chemistry","2012","10","36","7269","7273","10.1039/c2ob26229k","","","0.71073","MoKα","","0.0545","0.0335","","","0.0693","0.0733","","","","","","0.904","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152601","7.6851","0.0003","16.8705","0.0005","16.3611","0.0005","90","","90","","90","","2121.24","0.12","123","","123","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C28 H30 O -","- C28 H30 O -","- C112 H120 O4 -","4","0.5","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.051","0.0444","","","0.1234","0.1282","","","","","","1.059","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152602","8.1442","0.0003","4.8533","0.0002","27.81","0.0011","90","","94.01","0.004","90","","1096.53","0.07","123","","123","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.0464","0.0392","","","0.1094","0.1136","","","","","","1.051","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152603","18.3395","0.0006","19.6643","0.0005","8.8486","0.0002","90","","100.766","0.003","90","","3134.93","0.15","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","0.6889","synchrotron","","0.086","0.0738","","0.1692","0.158","0.1692","","","","","","0.9337","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152604","9.0382","0.0004","16.6844","0.0006","19.2103","0.0012","79.817","0.004","77.978","0.004","89.217","0.003","2787.9","0.2","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C51.5 H74.5 Cl5.5 N4 O7 -","- C51.5 H74.5 Cl5.5 N4 O7 -","- C103 H149 Cl11 N8 O14 -","2","2","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","1.5418","CuKα","","0.121","0.1155","","0.3195","0.3081","0.3195","","","","","","1.4241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152605","5.9235","0.0003","8.7289","0.0005","41.0305","0.0019","90","","90","","90","","2121.51","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O2 S -","- C25 H2 O2 S -","- C100 H8 O8 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.107","","","","0.3185","","","","","","2.022","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152606","5.7153","0.0008","7.9637","0.0012","32.145","0.005","90","","90","","90","","1463.1","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 O S -","- C68 O4 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.0953","","","","0.2809","","","","","","1.65","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152607","9.1969","0.001","11.1313","0.0012","12.8767","0.0014","90","","100.477","0.002","90","","1296.3","0.2","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ritmc01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.055","0.0417","","","0.1139","0.1247","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152608","8.0488","0.0008","12.3096","0.0012","14.1598","0.0014","104.845","0.002","101.999","0.002","92.355","0.002","1319.8","0.2","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc04","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1102","0.0575","","","0.1259","0.1515","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152609","23.271","0.003","7.479","0.0011","25.546","0.004","90","","99.779","0.002","90","","4381.5","1.1","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ritmc06","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C168 H240 O40 Si8 -","8","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1073","0.0516","","","0.1164","0.1425","","","","","","1","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152610","7.9801","0.0005","9.5704","0.0006","11.5449","0.0007","105.321","0.001","108.834","0.001","101.854","0.001","762.94","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc08","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0672","0.0492","","","0.1323","0.1457","","","","","","1.046","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152611","8.3285","0.0005","9.7137","0.0006","10.228","0.0006","102.466","0.001","109.023","0.001","97.827","0.001","744.45","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc09","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0867","0.0497","","","0.1189","0.1404","","","","","","1.02","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152612","5.551","0.003","11.084","0.006","24.666","0.014","90","","90","","90","","1517.6","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines.","Organic & biomolecular chemistry","2012","10","37","7628","7634","10.1039/c2ob26338f","","","0.71073","MoKα","","0.0602","0.0483","","","0.0872","0.0927","","","","","","1.021","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152613","8.6996","0.0003","9.4687","0.0003","11.8581","0.0004","87.36","0.002","71.996","0.001","77.073","0.001","905.14","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 N O8 -","- C22 H13 N O8 -","- C44 H26 N2 O16 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0571","0.0453","","","0.1158","0.1239","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152614","16.028","0.0012","14.4028","0.0012","21.1809","0.0018","90","","90","","90","","4889.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O6 -","- C32 H23 N O6 -","- C256 H184 N8 O48 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0823","0.0553","","","0.1514","0.1638","","","","","","1.032","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152615","8.9975","0.0008","10.6797","0.0011","11.4242","0.0017","107.022","0.008","99.434","0.008","111.65","0.005","928.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O9 -","- C20 H18 O9 -","- C40 H36 O18 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.082","0.0465","","","0.1176","0.1294","","","","","","1.052","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152616","11.3807","0.0005","8.1698","0.0004","40.685","0.0016","90","","90","","90","","3782.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C160 H144 O80 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0611","0.0516","","","0.1209","0.1248","","","","","","1.09","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152617","10.7404","0.0019","7.6871","0.0015","12.188","0.002","90","","91.526","0.012","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 F7 O7 -","- C20 H13 F7 O7 -","- C40 H26 F14 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0564","0.0397","","","0.0895","0.0975","","","","","","1.025","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152618","22.8935","0.0006","8.2045","0.0002","21.6152","0.0005","90","","98.132","0.001","90","","4019.15","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 F O7 -","- C23 H17 F O7 -","- C184 H136 F8 O56 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0772","0.0492","","","0.1252","0.1353","","","","","","1.047","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152619","18.4149","0.0009","5.8081","0.0003","21.3309","0.0012","90","","96.645","0.003","90","","2266.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C116 H80 O12 S4 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1405","0.0612","","","0.1038","0.1322","","","","","","1.029","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152620","8.0894","0.0004","8.8477","0.0004","11.6944","0.0005","95.198","0.002","97.489","0.002","90.9","0.002","826.13","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0703","0.0436","","","0.1064","0.1233","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152621","10.5603","0.0005","8.7419","0.0004","25.2998","0.0011","90","","94.71","0.002","90","","2327.72","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H24 O3.5 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0915","0.0527","","","0.1121","0.126","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152622","9.4746","0.0004","10.2347","0.0004","11.4323","0.0004","65.728","0.002","71.993","0.002","82.309","0.002","961.06","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C46 H36 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.07","0.0461","","","0.1131","0.128","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152623","36.4369","0.0012","40.2125","0.0014","6.8319","0.0002","90","","90","","90","","10010.2","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H21 N O5 -","- C31 H21 N O5 -","- C496 H336 N16 O80 -","16","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0894","0.0519","","","0.0914","0.1055","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152624","7.6625","0.0007","22.434","0.002","25.438","0.003","90","","90","","90","","4372.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C232 H160 O24 S8 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1469","0.0646","","","0.1225","0.1549","","","","","","1.003","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152625","8.6837","0.0003","12.849","0.0004","13.8588","0.0005","103.171","0.002","93.108","0.002","106.795","0.002","1429.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium trifluoroacetate","","- C15 H14 F3 N O3 -","- C15 H14 F3 N O3 -","- C60 H56 F12 N4 O12 -","4","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0772","0.0704","","","0.1572","0.163","","","","","","1.153","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152626","9.9646","0.0004","11.9986","0.0005","19.3145","0.0007","90","","90","","90","","2309.27","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0569","0.0447","","","0.0928","0.098","","","","","","1.138","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152627","18.5849","0.0007","9.1076","0.0003","19.5453","0.0008","90","","112.68","0.002","90","","3052.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,5 -dioxocyclopentan-1-ide monohydrate","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0777","0.0503","","","0.1149","0.1272","","","","","","1.037","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152628","8.4223","0.0002","9.4076","0.0003","10.8996","0.0003","85.508","0.002","73.336","0.002","68.462","0.002","769.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6- dioxocyclohexan-1-ide monhydrate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0577","0.0434","","","0.105","0.1141","","","","","","1.028","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152629","9.6118","0.0004","10.0248","0.0006","18.7717","0.001","90","","103.18","0.003","90","","1761.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-4,4- dimethyl-2,6-dioxocyclohexan-1-ide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.1063","0.0597","","","0.1305","0.1583","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152630","8.336","0.0004","8.7036","0.0003","12.122","0.0006","89.456","0.003","85.19","0.002","65.248","0.003","795.56","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0631","0.0489","","","0.1265","0.135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152631","8.8717","0.0003","11.5384","0.0003","15.619","0.0005","90","","95.98","0.003","90","","1590.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0529","0.0387","","","0.0933","0.0966","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152632","10.1338","0.0003","16.0686","0.0005","10.9554","0.0004","90","","95.661","0.003","90","","1775.23","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1!,1!-Diethyl-1!,2!-dihydrobenzo[cd]indol-1!-ium-2!-yl)-4,6- dioxo-1,3-dioxan-5-ide","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0554","0.0376","","","0.0901","0.0942","","","","","","1.023","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152633","6.827","0.0004","8.763","0.0005","13.1899","0.0007","102.408","0.004","98.689","0.004","94.696","0.003","756.45","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1(1-(dimethylamino)naphth-8-yl)-2,2-bis(acetyl)ethene","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.095","0.0571","","","0.1261","0.1392","","","","","","1.056","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152634","31.2818","0.0006","7.0957","0.0001","16.7814","0.0003","90","","107.374","0.001","90","","3554.96","0.11","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1!-Ethyl-2,2,2!-trimethyl-2!,4!-dihydro-1!H-spiro((1,3)dioxane- 5,3!-naphtho[1,8-bc]azepine)-4,6-dione","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0531","0.0447","","","0.1151","0.1204","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152635","15.0771","0.0005","6.6633","0.0002","15.52","0.0006","90","","109.378","0.004","90","","1470.86","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Ethyl-2-methyl-1,2-dihydronaphtho[1,8-bc]azepine-3,3(4H)-dicarbonitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0496","0.0381","","","0.0949","0.0981","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152636","15.9448","0.0012","7.743","0.0006","26.4365","0.0018","90","","90","","90","","3263.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1!-Methyl-2!,4!-dihydro-1!H-spiro(indene-2,3!-naphtho[1,8-bc]azepine)-1,3-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0919","0.0472","","","0.1088","0.1192","","","","","","0.993","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152637","8.8403","0.0005","11.1099","0.0007","35.459","0.002","90","","90","","90","","3482.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N O11 P2 -","- C30 H43 N O11 P2 -","- C120 H172 N4 O44 P8 -","4","1","","Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min","Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.","Organic & biomolecular chemistry","2012","10","39","7970","7979","10.1039/c2ob25966d","","","0.71073","MoKα","","0.0632","0.054","","","0.1483","0.1578","","","","","","1.058","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152638","9.5751","0.0003","14.6142","0.0005","10.3886","0.0003","90","","102.503","0.002","90","","1419.23","0.08","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21 1","P 2yb","4","","","","- C31 H25 N O4 S2 Si -","- C31 H25 N O4 S2 Si -","- C62 H50 N2 O8 S4 Si2 -","2","1","","Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François","1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.","Organic & biomolecular chemistry","2012","10","39","8016","8026","10.1039/c2ob25983d","","","0.71073","MoKα","","0.0411","0.0371","","","0.0911","0.0943","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152639","9.243","0.003","7.153","0.002","8.902","0.003","90","","91.489","0.004","90","","588.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.037","0.0346","","","0.0943","0.0965","","","","","","1.053","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152640","5.65","0.0016","7.884","0.002","9.777","0.003","110.051","0.003","90.33","0.004","109.728","0.003","381.45","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C14 H24 N4 O4 -","2","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.0367","0.0353","","","0.0954","0.0965","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152641","32.024","0.003","10.619","0.0009","21.2363","0.0015","90","","90.467","0.003","90","","7221.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl2 N5 O11 Zn -","- C33 H39 Cl2 N5 O11 Zn -","- C264 H312 Cl16 N40 O88 Zn8 -","8","1","","Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han","Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.","Organic & biomolecular chemistry","2012","10","42","8410","8417","10.1039/c2ob26000j","","","0.71073","MoKα","","0.1454","0.0599","","","0.1148","0.1449","","","","","","0.997","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152642","15.2071","0.0006","31.4686","0.0013","15.2236","0.0006","90","","97.554","0.004","90","","7222","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21- carbaporphiryn 3.25 dichloromethane solvate","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21-carbaporphiryn 3.25 dichloromethane solvate","","- C75.25 H62.5 Cl6.5 N4 O2 P2 -","- C74 H60 Cl4 N4 O2 P2 -","- C296 H240 Cl16 N16 O8 P8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.211","0.0996","","","0.2146","0.2344","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152643","22.7262","0.0008","9.7497","0.0004","29.1825","0.0015","90","","122.445","0.003","90","","5456.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Silver(III) complex of 5,10,15,20-tetratolyl-2-aza-3-diphenylphosphoryl-21-carbaporphiryn hexane and dichloromethane solvate","","- C67.1 H70.2 Ag Cl2.2 Cs0 N4 O P -","- C61.1 H46.2 Ag Cl2.2 N4 O P -","- C244.4 H184.8 Ag4 Cl8.8 N16 O4 P4 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1919","0.0579","","","0.0901","0.0976","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152644","14.482","0.003","13.25","0.003","29.776","0.007","90","","116.67","0.03","90","","5106","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","5,10,15,20-tetratolyl-2-aza-21-diphenylthiophosphoryl-21-carbaporphiryn 2.6 dichloromethane solvate","","- C122.58 H99.16 Cl5.16 N8 P2 S2 -","- C122.581 H99.162 Cl5.162 N8 P2 S2 -","- C245.162 H198.324 Cl10.324 N16 P4 S4 -","2","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.0947","0.0627","","","0.1517","0.1615","","","","","","1.001","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152645","14.678","0.004","15.687","0.004","20.796","0.006","90","","100.53","0.03","90","","4708","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10,15,20-Tetratolyl-2-aza-21-carbaporphiryno-21-diphenylphosphinodithioate","","- C60 H47 N4 P S2 -","- C60 H47 N4 P S2 -","- C240 H188 N16 P4 S8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1149","0.0553","","","0.1111","0.1174","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152646","11.966","0.002","10.7644","0.0019","17.134","0.003","90","","107.503","0.003","90","","2104.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F N3 O2 -","- C23 H22 F N3 O2 -","- C92 H88 F4 N12 O8 -","4","1","","Nair, Vijay; Jose, Anu; Lakshmi, K. C. Seetha; Rajan, Rejithamol; Suresh, Eringathodi","A facile four component protocol for the synthesis of dihydropyridine derivatives.","Organic & biomolecular chemistry","2012","10","38","7747","7752","10.1039/c2ob26074c","","","0.71073","MoKα","","0.1192","0.105","","","0.2015","0.208","","","","","","1.343","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152647","19.2003","0.0006","6.7203","0.0002","11.034","0.0004","90","","99.379","0.002","90","","1404.7","0.08","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","0.5","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0561","0.0439","","","0.1176","0.1261","","","","","","1.069","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152648","13.913","0.004","13.475","0.004","8.404","0.003","90","","94.246","0.009","90","","1571.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O9 -","- C16 H15 N O9 -","- C64 H60 N4 O36 -","4","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.1857","0.0497","","","0.0821","0.116","","","","","","0.874","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152649","8.4652","0.0002","9.605","0.0002","9.634","0.0002","111.536","0.001","90.649","0.002","98.224","0.002","719.41","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0665","0.0421","","","0.115","0.1269","","","","","","1.017","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152650","10.659","0.0014","11.1175","0.0008","11.4796","0.0008","115.03","0.003","100.751","0.004","101.47","0.004","1150.5","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H24 N2 O4 Se -","- C28 H23.5 N2 O4 Se -","- C56 H47 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0524","0.0343","","","0.0784","0.0851","","","","","","1.014","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152651","21.023","0.002","13.153","0.002","11.8836","0.0018","90","","121.836","0.007","90","","2791.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Br2 N2 O6 Se -","- C27 H16 Br2 N2 O6 Se -","- C108 H64 Br8 N8 O24 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1612","0.0638","","","0.1485","0.1843","","","","","","0.961","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152652","27.425","0.006","5.1133","0.0009","17.468","0.004","90","","109.987","0.013","90","","2302","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 Se -","- C28 H24 N2 O2 Se -","- C112 H96 N8 O8 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1427","0.0513","","","0.1194","0.1565","","","","","","0.93","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152653","10.1344","0.0003","10.3521","0.0003","12.1801","0.0004","82.512","0.002","78.896","0.002","79.956","0.002","1228.5","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H N2 O4 Se -","- C28 H21.5 N2 O4 Se -","- C56 H43 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0761","0.0429","","","0.1011","0.1155","","","","","","1.01","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152654","15.0038","0.0007","9.2872","0.0004","17.4994","0.0007","90","","105.64","0.002","90","","2348.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O4 Se -","- C28 H22 N2 O4 Se -","- C112 H88 N8 O16 Se4 -","4","1","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0401","0.0263","","","0.0592","0.0651","","","","","","1.007","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152655","9.7433","0.0003","11.3443","0.0004","18.273","0.0007","90","","90","","90","","2019.73","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong","Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.","Organic & biomolecular chemistry","2012","10","42","8471","8477","10.1039/c2ob26165k","","","0.71073","MoKα","","","0.0525","","","0.1088","0.1305","","","","","","1.024","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152656","6.4262","0.0003","9.951","0.0003","10.4639","0.0004","73.787","0.002","86.704","0.002","75.894","0.002","623.11","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F5 N O4 -","- C10 H10 F5 N O4 -","- C20 H20 F10 N2 O8 -","2","1","","Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Tolmachova, Nataliya A.; Gerus, Igor I.; Bergander, Klaus; Fröhlich, Roland; Haufe, Günter","Reactions of β-alkoxyvinyl polyfluoroalkyl ketones with ethyl isocyanoacetate and its use for the synthesis of new polyfluoroalkyl pyrroles and pyrrolidines.","Organic & biomolecular chemistry","2012","10","44","8778","8785","10.1039/c2ob26176f","","","0.71073","MoKα","","0.0763","0.0646","","","0.1438","0.1566","","","","","","1.066","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152657","7.2879","0.0001","18.6931","0.0003","21.3386","0.0004","90","","90","","90","","2907.03","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Pd2 -","- C28 H42 Cl2 Pd2 -","- C112 H168 Cl8 Pd8 -","4","1","","Fernandes, Rodney A.; Nallasivam, Jothi L.","Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.","Organic & biomolecular chemistry","2012","10","38","7789","7800","10.1039/c2ob26188j","","","0.71073","MoKα","","0.029","0.0255","","","0.0625","0.0632","","","","","","1.005","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152658","18.8854","0.0016","18.8854","0.0016","12.9167","0.0011","90","","90","","120","","3989.6","0.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H31 N O9 -","- C25 H31 N O9 -","- C150 H186 N6 O54 -","6","1","","Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang","Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.","Organic & biomolecular chemistry","2012","10","44","8794","8799","10.1039/c2ob26205c","","","0.7107","MoKα","","0.0961","0.0819","","","0.2295","0.2389","","","","","","1.091","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152659","17.79","0.004","20.166","0.004","6.7371","0.0013","90","","90","","90","","2417","0.9","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C13 H6 F3 N3 S -","- C13 H6 F2.97 N3 S -","- C104 H48 F23.76 N24 S8 -","8","","","Zhang, Xinhai; Jia, Jiong; Ma, Chen","A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.","Organic & biomolecular chemistry","2012","10","39","7944","7948","10.1039/c2ob26211h","","","0.71073","MoKα","","0.045","0.0317","","","0.076","0.0841","","","","","","1.038","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152660","18.198","0.004","13.615","0.003","17.77","0.004","90","","94.937","0.003","90","","4386.5","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 N7 O5 -","- C49 H45 N7 O5 -","- C196 H180 N28 O20 -","4","1","","Huang, Liang; Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Bai, Decheng; Zeng, Zhengzhi","Selective off-on fluorescent chemosensor for detection of Fe(3+) ions in aqueous media.","Organic & biomolecular chemistry","2012","10","48","9634","9638","10.1039/c2ob26258d","","","0.71073","MoKα","","0.0937","0.0538","","","0.1546","0.1854","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152661","13.6753","0.0018","8.3473","0.0011","15.493","0.002","90","","90","","90","","1768.6","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0766","0.0541","","","0.1323","0.1484","","","","","","1.027","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152662","7.1538","0.0006","8.3848","0.0007","15.2827","0.0013","78.938","0.001","87.667","0.001","75.921","0.001","872.63","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br Cl N2 O3 -","- C18 H14 Br Cl N2 O3 -","- C36 H28 Br2 Cl2 N4 O6 -","2","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0514","0.0431","","","0.1072","0.1128","","","","","","1.04","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152663","19.125","0.005","7.3751","0.0019","22.492","0.006","90","","90","","90","","3172.5","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0598","0.0521","","","0.1346","0.1442","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152664","15.8541","0.0016","7.1382","0.0007","16.7066","0.0017","90","","114.406","0.002","90","","1721.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0462","0.0438","","","0.1219","0.1245","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152665","12.238","0.004","8.006","0.003","28.867","0.01","90","","90","","90","","2828.3","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.1151","0.0641","","","0.159","0.1919","","","","","","1.062","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152666","8.853","0.007","15.935","0.013","17.189","0.014","113.95","0.004","100.455","0.008","100.051","0.009","2095","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Cl2 S8 Si2 -","- C35 H40 Cl2 S8 Si2 -","- C70 H80 Cl4 S16 Si4 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1067","0.0834","","","0.2162","0.2453","","","","","","1.075","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152667","10.433","0.008","12.641","0.008","12.954","0.008","66.52","0.03","73.94","0.02","83.87","0.03","1505.8","1.8","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C64 H52 S16 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1235","0.0987","","","0.2593","0.3004","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152668","20.472","0.008","9.432","0.003","15.9","0.006","90","","93.519","0.005","90","","3064.4","1.9","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C128 H104 S32 -","4","0.5","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.0586","0.0568","","","0.1624","0.1647","","","","","","1.182","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152669","10.667","0.002","9.913","0.002","20.138","0.004","90","","111.543","0.009","90","","1980.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0728","0.0697","","","0.1355","0.1371","","","","","","1.301","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152670","9.127","0.002","17.133","0.003","12.58","0.003","90","","93.34","0.02","90","","1963.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0822","0.0415","","","0.0871","0.0963","","","","","","0.871","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152671","12.3185","0.0007","12.0813","0.0007","18.8019","0.0008","90","","130.587","0.002","90","","2125","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.08","0.0687","","","0.1544","0.1606","","","","","","1.168","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152672","5.952","0.002","9.834","0.004","36.141","0.014","90","","94.321","0.007","90","","2109.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0797","0.0593","","","0.1458","0.1616","","","","","","1.077","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152673","6.8884","0.0005","22.6134","0.0016","11.3005","0.0007","90","","111.284","0.003","90","","1640.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P S -","- C16 H21 O4 P S -","- C64 H84 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0542","0.0497","","","0.1166","0.1195","","","","","","1.132","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152674","21.0466","0.0015","11.4539","0.0008","9.9034","0.0007","90","","91.019","0.001","90","","2387","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O4 P -","- C28 H27 N2 O4 P -","- C112 H108 N8 O16 P4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0508","0.0474","","","0.1156","0.1178","","","","","","1.082","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152675","9.0438","0.0008","12.1015","0.0012","14.1578","0.0014","98.54","0.05","108.13","0.04","110.06","0.03","1325.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O3 -","- C29 H32 N4 O3 -","- C58 H64 N8 O6 -","2","1","","Wang, Jingze; Yang, Qiwu; Song, Haibin; Zhang, Wenqin","A fluorescent probe of N'-formyl-rhodamine B hydrazide: structure and spectral properties of protonation behaviour.","Organic & biomolecular chemistry","2012","10","38","7677","7680","10.1039/c2ob26288f","","","0.71073","MoKα","","0.0652","0.0424","","","0.0954","0.1037","","","","","","0.94","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152676","8.3211","0.0005","9.7981","0.0006","10.1922","0.0006","73.183","0.002","70.006","0.002","85.591","0.002","747.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Chen, Bo; Wang, Nan; Fan, Wu; Ma, Shengming","Efficient synthesis of N-(buta-2,3-dienyl) amides from terminal N-propargyl amides and their synthetic potential towards oxazoline derivatives.","Organic & biomolecular chemistry","2012","10","42","8465","8470","10.1039/c2ob26291f","","","0.71073","MoKα","","0.0494","0.0374","","","0.0934","0.1008","","","","","","1.065","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152677","37.471","0.004","23.257","0.003","23.235","0.003","90","","90","","90","","20248","4","100","2","100","2","","","","","","","Jenny Hiscock","5","P n a 21","P 2c -2n","33","","","","- C160 H354 N18 O46 P8 -","- C160 H330 N18 O46 P8 -","- C640 H1320 N72 O184 P32 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1476","0.1207","","","0.313","0.3509","","","","","","1.257","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152678","8.515","0.005","19.245","0.01","21.792","0.012","72.207","0.019","83.15","0.03","80.58","0.02","3345","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1","P 1","1","","","","- C71 H101 N9 O6 -","- C71 H101 N9 O6 -","- C142 H202 N18 O12 -","2","2","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.111","0.0951","","","0.1811","0.191","","","","","","1.164","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152679","21.771","0.011","8.336","0.004","21.888","0.011","90","","119.815","0.005","90","","3447","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1 n 1","P -2yac","7","","","","- C72 H105 N9 O7 -","- C72 H105 N9 O7 -","- C144 H210 N18 O14 -","2","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.116","0.0956","","","0.1508","0.1706","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152680","18.588","0.008","13.759","0.006","23.034","0.01","90","","96.793","0.006","90","","5850","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H93 N9 O6 S -","- C58 H93 N9 O6 S -","- C232 H372 N36 O24 S4 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1849","0.1126","","","0.264","0.3135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152681","11.756","","14.575","","11.52","","90","","90","","90","","1973.88","","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 Br O5 -","- C22 H17 Br O5 -","- C88 H68 Br4 O20 -","4","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.092","0.0394","","","0.0809","0.0971","","","","","","0.986","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152682","9.7129","0.0016","10.5113","0.0017","10.7041","0.0017","107.55","0.002","105.744","0.002","98.461","0.002","971.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl O5 -","- C22 H17 Cl O5 -","- C44 H34 Cl2 O10 -","2","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.0618","0.0499","","","0.1514","0.1632","","","","","","1.086","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152683","13.17","0.0007","12.2955","0.0005","20.5036","0.0009","90","","103.669","0.005","90","","3226.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N5 O -","- C37 H45 N5 O -","- C148 H180 N20 O4 -","4","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.1243","0.0603","","","0.1196","0.1513","","","","","","1.035","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152684","10.051","0.003","10.22","0.005","20.088","0.007","76.98","0.04","76.86","0.03","86.88","0.03","1957.8","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.2362","0.1","","","0.1336","0.1997","","","","","","0.972","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152685","9.7636","0.0008","9.9508","0.0009","11.0156","0.0013","108.945","0.002","99.716","0.001","104.409","0.001","943.33","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N4 O5.5 -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0832","0.0527","","","0.1306","0.1448","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152686","9.8221","0.0009","10.078","0.001","11.4409","0.0012","109.877","0.002","103.016","0.001","102.588","0.001","982.6","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0908","0.0489","","","0.1012","0.1139","","","","","","1.041","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152687","11.7549","0.0006","13.7175","0.0009","20.1662","0.0013","84.294","0.003","75.25","0.004","89.894","0.004","3128.1","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl N O2 Si -","- C33 H44 Cl N O2 Si -","- C132 H176 Cl4 N4 O8 Si4 -","4","2","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.1063","0.0729","","","0.1677","0.1828","","","","","","1.128","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152688","7.7031","0.0003","9.8991","0.0006","15.8805","0.0008","90","","98.831","0.003","90","","1196.59","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O2 Si -","- C24 H41 N O2 Si -","- C48 H82 N2 O4 Si2 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0586","0.0439","","","0.1016","0.1107","","","","","","1.048","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152689","9.6609","0.0009","11.5354","0.0011","9.136","0.0005","90","","90","","90","","1018.14","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0803","0.0401","","","0.0754","0.0878","","","","","","0.982","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152690","8.4675","0.0015","11.662","0.002","8.682","0.0016","90","","103.279","0.005","90","","834.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.6885","synchrotron","","0.0745","0.0643","","","0.1524","0.1555","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152691","5.7251","0.001","12.062","0.002","12.371","0.002","82.492","0.003","80.563","0.003","81.462","0.003","828.4","0.2","25","","25","","","","","","","","","4","P -1","-P 1","2","carboline","(3-benzyl-2-ethyl-7-methoxy-9H-pyrido[2,3-b]indole)","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0793","0.0601","","","0.1227","0.1314","","","","","","1.15","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152692","7.9981","0.0014","10.353","0.0018","16.174","0.003","90","","92.804","0.003","90","","1337.7","0.4","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-[2-Cyano-2-(2-nitrophenyl)]ethylcyclohex-2-en-1-one)","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0637","0.0585","","","0.1535","0.1589","","","","","","0.948","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152693","26.28","0.01","10.188","0.004","16.786","0.006","90","","124.377","0.007","90","","3709","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C160 H168 N24 O16 S8 -","8","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.1492","0.0624","","","0.1474","0.1924","","","","","","0.989","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152694","14.8086","0.0016","8.8273","0.001","12.8851","0.0014","90","","108.871","0.002","90","","1593.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.0649","0.0459","","","0.1328","0.153","","","","","","0.959","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152695","10.673","0.005","8.677","0.004","12.475","0.006","90","","90.403","0.007","90","","1155.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H20 Cl N3 O2 S -","- C27 H20 Cl N3 O2 S -","- C54 H40 Cl2 N6 O4 S2 -","2","1","","Jiang, Lingyong; Yu, Xingxin; Fang, Bing; Wu, Jie","Silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with pyridyne.","Organic & biomolecular chemistry","2012","10","40","8102","8107","10.1039/c2ob26379c","","","0.71073","MoKα","","0.0484","0.045","","","0.1308","0.1346","","","","","","0.914","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152696","7.271","0.0004","13.0197","0.0006","22.3322","0.0011","90","","90","","90","","2114.11","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl F4 N -","- C22 H22 Cl F4 N -","- C88 H88 Cl4 F16 N4 -","4","1","","Chia, Poh Wai; Brennan, Sarah C.; Slawin, Alexandra M. Z.; Riccardi, Daniela; O'Hagan, David","Allosteric agonists of the calcium receptor (CaR): fluorine and SF5 analogues of cinacalcet.","Organic & biomolecular chemistry","2012","10","39","7922","7927","10.1039/c2ob26402a","","","1.54178","CuKα","","0.0726","0.0704","","","0.1892","0.1918","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152697","20.206","0.004","8.8525","0.0016","22.032","0.004","90","","94.898","0.003","90","","3926.6","1.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C176 H176 N16 O48 -","8","2","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0864","0.0487","","","0.1397","0.1786","","","","","","1.095","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152698","8.7826","0.0018","9.574","0.002","13.717","0.003","89.306","0.004","81.155","0.004","83.165","0.004","1131.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0672","0.05","","","0.1324","0.1445","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152699","10.122","0.006","10.799","0.006","20.017","0.011","90","","90","","90","","2188","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei","Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.","Organic & biomolecular chemistry","2012","10","41","8211","8215","10.1039/c2ob26422f","","","0.71073","MoKα","","0.1185","0.0546","","","0.1393","0.1905","","","","","","0.767","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152700","17.6423","0.0005","7.4224","0.0002","13.8157","0.0004","90","","109.299","0.0012","90","","1707.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0341","0.0329","","0.0804","0.0791","0.0804","","","","","","0.9999","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152701","11.5793","0.0002","9.778","0.0002","23.1685","0.0004","90","","101.922","0.0007","90","","2566.61","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0796","0.0625","","0.1736","0.1507","0.1735","","","","","","0.9698","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152702","26.1913","0.0002","7.9118","0.0001","23.6522","0.0003","90","","122.556","0.0005","90","","4131.06","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C160 H208 N16 O64 -","16","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0587","0.0446","","0.1314","0.1106","0.1314","","","","","","0.9355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152703","7.7576","0.0003","6.007","0.0002","14.7572","0.0006","90","","93.71","0.002","90","","686.24","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.067","0.0687","","","","","","1.089","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152704","11.0917","0.0005","17.5158","0.0006","16.208","0.0006","90","","109.615","0.002","90","","2966.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","2","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0503","0.0449","","","0.131","0.1369","","","","","","1.068","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152705","7.446","0.004","7.67","0.003","16.378","0.01","96.97","0.04","102.06","0.02","118.99","0.02","772.5","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.102","0.0897","","","0.2758","0.292","","","","","","1.173","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152706","6.355","","8.01","","24.798","","90","","90","","90","","1262.31","","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0546","0.0391","","","0.0921","0.103","","","","","","0.946","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152707","11.0681","0.0003","9.2126","0.0003","13.3847","0.0003","90","","90.01","0.001","90","","1364.78","0.07","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.0906","0.098","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152708","8.5077","0.0004","9.6154","0.0005","9.324","0.0004","90","","116.932","0.007","90","","680.03","0.07","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0784","0.0832","","","","","","1.085","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152709","6.545","","10.072","","11.676","","107.83","","101.23","","92.8","","713.831","","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C30 H22 Cl2 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0973","0.047","","","0.0972","0.1211","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152710","8.6482","0.0003","9.8196","0.0004","11.8305","0.0005","76.306","0.002","82.629","0.002","65.289","0.002","886.24","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0534","0.0418","","","0.1051","0.1154","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152711","28.8723","0.0011","8.1821","0.0003","17.9935","0.0007","90","","124.445","0.001","90","","3505.4","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F N O2 S -","- C20 H20 F N O2 S -","- C160 H160 F8 N8 O16 S8 -","8","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0618","0.0434","","","0.1219","0.1434","","","","","","1.113","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152712","8.154","0.0003","11.686","0.0005","22.9788","0.001","90","","94.734","0.003","90","","2182.13","0.16","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0651","0.046","","","0.1144","0.1288","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152713","14.6259","0.0002","8.4133","0.0002","18.8218","0.0003","90","","94.804","0.001","90","","2307.93","0.07","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br2 N O2 S -","- C26 H23 Br2 N O2 S -","- C104 H92 Br8 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0614","0.035","","","0.0832","0.101","","","","","","1.047","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152714","8.2735","0.0003","9.7455","0.0004","9.7543","0.0004","90","","90","","90","","786.48","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C24 H56 Cl4 N4 O4 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","","","","1.54178","CuKα","","0.0154","0.0154","","","0.0418","0.0418","","","","","","1.154","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152715","21.0466","0.0007","5.8427","0.0002","12.7574","0.0004","90","","104.37","0.001","90","","1519.68","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H28 Cl2 N2 O2 -","- C10 H28 Cl2 N2 O2 -","- C40 H112 Cl8 N8 O8 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","10.1039/c2ob26482j","","","1.54178","CuKα","","0.024","0.0239","","","0.0585","0.0586","","","","","","1.096","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152716","13.4626","0.0007","14.6803","0.0008","15.9634","0.0007","94.288","0.004","98.319","0.004","115.215","0.005","2791.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 N2 -","- C67 H68 N2 -","- C134 H136 N4 -","2","1","","Li, Jichao; Hu, Binbin; Hu, Gongfang; Li, Xihui; Lu, Ping; Wang, Yanguang","An efficient synthesis of heptaaryldipyrromethenes from tetraarylcyclopentadienones and ammonium acetate and their extension to the corresponding BODIPYs.","Organic & biomolecular chemistry","2012","10","44","8848","8859","10.1039/c2ob26509e","","","0.71073","MoKα","","0.1353","0.0603","","","0.1286","0.1629","","","","","","0.953","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152717","8.5856","0.0003","13.3808","0.001","13.8389","0.0009","66.612","0.007","77.281","0.004","77.711","0.005","1409.37","0.17","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","2-{(E)-5-[(E)-3-{4-(Diethylamino)phenyl}-1-{4-(dimethylamino)phenyl}allylidene]-4-phenylthiazol-2-ylidene}malononitrile","","- C33 H31 N5 S -","- C33 H31 N5 S -","- C66 H62 N10 S2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.1598","0.0419","","","0.0365","0.0424","","","","","","0.805","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152718","9.8471","0.0005","28.4321","0.0015","11.7509","0.0008","90","","106.763","0.006","90","","3150.1","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5Z)-7-(2,6-Di-tert-butyl-4H-pyran-4-ylidene)-6-(4-(dimethylamino)phenyl)2-phenylhepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C37 H38 N4 O -","- C37 H38 N4 O -","- C148 H152 N16 O4 -","4","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.169","0.0685","","","0.0916","0.1209","","","","","","0.984","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152719","5.9702","0.0005","12.9502","0.0014","20.426","0.002","104.108","0.009","92.797","0.008","95.045","0.008","1521.6","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-[1,1': 3',1''-terphenyl]-2',4'-dicarbonitrile-5'-[2, 6-di-tert-butyl-4H-pyran-4-ylidene]","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C72 H74 N6 O2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.2233","0.0804","","","0.0971","0.1405","","","","","","0.968","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152720","8.3769","0.0009","12.9848","0.0013","13.7325","0.0014","90","","90.834","0.001","90","","1493.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O S -","- C14 H17 N3 O S -","- C56 H68 N12 O4 S4 -","4","1","","Zhao, Yingwei; Lei, Min; Yang, Lei; Han, Feng; Li, Zhen; Xia, Chungu","Oxygen-sulfur rearrangement in the reaction of thiocarbamate imidazolium ylide with arylaldehyde.","Organic & biomolecular chemistry","2012","10","45","8956","8959","10.1039/c2ob26520f","","","0.71073","MoKα","","0.0416","0.0369","","","0.1288","0.136","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152721","9.7754","0.0007","17.6008","0.0015","9.5625","0.0007","90","","113.841","0.004","90","","1504.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RAUL004","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Domingo, Luis R.; Jiménez, M Consuelo; Miranda, Miguel A.","Ring splitting of azetidin-2-ones via radical anions.","Organic & biomolecular chemistry","2012","10","39","7928","7932","10.1039/c2ob26528a","","x-ray","0.71073","MoKα","","0.0863","0.0476","","","0.0997","0.1153","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152723","9.271","0.007","9.707","0.007","20.928","0.014","90.57","0.011","97.203","0.005","114.198","0.013","1700","2","93.15","","93","2","","","","","","","","3","P -1","-P 1","2","1,4-bis(4'-acetyl-(1,1'-biphenyl)-4-yl)buta-1,3-diyne","1,4-bis(4'-acetyl-[1,1'-biphenyl]-4-yl)buta-1,3-diyne","","- C32 H22 O2 -","- C32 H22 O2 -","- C96 H66 O6 -","3","1.5","","Mitsudo, Koichi; Kamimoto, Natsuyo; Murakami, Hiroki; Mandai, Hiroki; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Site-selective sequential coupling reactions controlled by ""Electrochemical Reaction Site Switching"": a straightforward approach to 1,4-bis(diaryl)buta-1,3-diynes.","Organic & biomolecular chemistry","2012","10","48","9562","9569","10.1039/c2ob26567b","","","0.71075","MoKα","","0.1239","0.0581","","","0.1153","0.1405","","","","","","0.912","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152724","24.8142","0.001","8.6804","0.0003","18.1721","0.0007","90","","99.492","0.001","90","","3860.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Li, Ming; Zan, Li; Prajapati, Dipak; Hu, Wenhao","Rhodium(ii) catalyzed diastereoselective reactions of diazoacetamides with isatins: an efficient approach to 3-hydroxy-3,3'-bioxindoles.","Organic & biomolecular chemistry","2012","10","44","8808","8813","10.1039/c2ob26580j","","","0.71073","MoKα","","0.0708","0.0421","","","0.0986","0.1172","","","","","","1.016","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152725","18.235","0.003","8.195","0.0009","18.783","0.003","90","","111.007","0.018","90","","2620.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C104 H112 Br8 N8 O16 -","8","1","","Zhang, Juan; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Liu, Pengjun","Copper-catalyzed aerobic oxidative synthesis of α-ketoamides from methyl ketones, amines and NIS at room temperature.","Organic & biomolecular chemistry","2012","10","46","9237","9242","10.1039/c2ob26586a","","","0.71069","MoKα","","0.1304","0.0665","","","0.1288","0.1577","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152726","16.201","0.008","14.693","0.007","31.511","0.015","90","","100.528","0.007","90","","7375","6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H117 N12 O14 P -","- C70 H117 N12 O14 P -","- C280 H468 N48 O56 P4 -","4","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1207","0.0711","","","0.1651","0.1972","","","","","","1.039","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152727","12.821","0.003","16.131","0.004","19.3","0.004","77.453","0.002","77.365","0.003","87.544","0.003","3801.8","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C67 H109 N12 O12.5 S1.5 -","- C67 H108.5 N12 O12.5 S1.5 -","- C134 H217 N24 O25 S3 -","2","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1023","0.0786","","","0.2172","0.2394","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152728","7.1862","0.0007","11.0958","0.0013","11.8947","0.0011","90","","104.528","0.01","90","","918.12","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6A","","","- C18 H26 O9 -","- C18 H26 O9 -","- C36 H52 O18 -","2","1","","Pandey, Ganesh; Adate, Priyanka A.; Puranik, Vedavati G.","Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones.","Organic & biomolecular chemistry","2012","10","41","8260","8267","10.1039/c2ob26597d","","","1.54184","CuKα","","0.0412","0.0409","","","0.1125","0.1131","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152729","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Ciupa, Alexander; Mahon, Mary F.; De Bank, Paul A.; Caggiano, Lorenzo","Simple pyrazoline and pyrazole ""turn on"" fluorescent sensors selective for Cd(2+) and Zn(2+) in MeCN.","Organic & biomolecular chemistry","2012","10","44","8753","8757","10.1039/c2ob26608c","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152730","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152731","9.7301","0.0009","19.154","0.0019","18.7347","0.0018","90","","90.915","0.002","90","","3491.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","0.71073","MoKα","","0.0574","0.0436","","","0.1072","0.1145","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152732","17.1331","0.0003","5.0892","0.0001","17.6727","0.0003","90","","118.234","0.001","90","","1357.61","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","1.54178","CuKα","","0.0452","0.0429","","","0.1184","0.1217","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152733","17.0527","0.0007","17.0527","0.0007","8.4671","0.0007","90","","90","","90","","2462.2","0.2","110","2","110","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H31 N2 O6 -","- C26 H31 N2 O6 -","- C104 H124 N8 O24 -","4","1","","Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.","Organic & biomolecular chemistry","2012","10","43","8579","8582","10.1039/c2ob26669e","","","0.71073","MoKα","","0.0751","0.0669","","","0.1597","0.165","","","","","","1.081","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152734","8.3206","0.0004","8.3369","0.0004","25.7561","0.0014","93.355","0.001","95.323","0.001","93.682","0.001","1771.53","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0552","0.0453","","","0.0873","0.0925","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152735","8.3213","0.0004","8.3312","0.0004","25.7701","0.0013","93.369","0.001","95.301","0.001","93.703","0.001","1771.42","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0611","0.0446","","","0.0827","0.0901","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152736","10.8478","0.0012","11.5786","0.0013","17.841","0.002","80.352","0.002","80.707","0.002","76.854","0.002","2133.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.1179","0.051","","","0.1459","0.1939","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152737","10.1299","0.0006","15.3763","0.0009","15.953","0.0009","61.791","0.001","76.535","0.001","86.754","0.001","2125.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N O3.5 S -","- C24 H23 N O3.5 S -","- C96 H92 N4 O14 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.062","0.0481","","","0.1476","0.1682","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152738","16.077","0.002","17.39","0.003","21.894","0.003","90","","109.049","0.002","90","","5785.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N18 O20.25 -","- C38 H38 Br2.01 N18 O20.25 -","- C152 H152 Br8.04 N72 O81 -","4","1","","Maddipatla, Murthy V. S. N.; Pattabiraman, Mahesh; Natarajan, Arunkumar; Srivastav, Karan; Mague, Joel T.; Ramamurthy, V.","Regioselective photodimerization of pyridyl-butadienes within cucurbit[8]uril cavities.","Organic & biomolecular chemistry","2012","10","46","9219","9222","10.1039/c2ob26743h","","","0.71073","MoKα","","0.1448","0.1181","","","0.3057","0.3167","","","","","","2.421","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152739","8.6509","0.0007","9.6346","0.0004","10.4549","0.0004","112.631","0.002","100.874","0.003","95.813","0.003","775.19","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Wang, Chiou-Dong; Liu, Rai-Shung","Silver-catalyzed [3+2]-cycloaddition of benzynes with diazocarbonyl species via a postulated (1H-indazol-1-yl)silver intermediate.","Organic & biomolecular chemistry","2012","10","45","8948","8952","10.1039/c2ob26760h","","","0.71073","MoKα","","0.0895","0.0458","","","0.1283","0.1852","","","","","","1.11","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152740","11.3188","0.0014","7.8255","0.001","11.8409","0.0015","90","","107.775","0.0018","90","","998.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Standen, Patricia E.; Dodia, Dharati; Elsegood, Mark R. J.; Teat, Simon J.; Kimber, Marc C.","The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis.","Organic & biomolecular chemistry","2012","10","43","8669","8676","10.1039/c2ob26784e","","","0.7749","synchrotron","","0.0441","0.0391","","","0.1093","0.1141","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152741","6.4701","0.0006","10.1349","0.001","14.1595","0.0013","93.806","0.006","91.027","0.006","105.958","0.006","890.11","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1163","0.124","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152742","7.3493","0.0012","9.3408","0.0015","25.042","0.004","73.729","0.006","88.572","0.006","86.474","0.006","1647.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 O4 Si -","- C15 H26 O4 Si -","- C60 H104 O16 Si4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.1199","0.0727","","","0.1868","0.2182","","","","","","1.074","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152743","7.5774","0.0018","7.5917","0.0014","16.577","0.004","77.041","0.013","88.566","0.019","85.931","0.013","926.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.193","0.1434","","","0.356","0.3872","","","","","","1.094","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152744","11.1742","0.0003","12.7465","0.0003","12.9261","0.0003","77.034","0.001","65.985","0.001","82.498","0.001","1637.25","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 S -","- C15 H15 N O8 S -","- C60 H60 N4 O32 S4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0819","0.0479","","","0.121","0.1436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152745","6.3446","0.0001","16.7461","0.0002","19.6159","0.0002","90","","90","","90","","2084.14","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F3 N2 O5 -","- C20 H25 F3 N2 O5 -","- C80 H100 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","1.54184","CuKα","","0.0303","0.0295","","","0.0751","0.0758","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152746","6.3032","0.0014","17.505","0.004","19.677","0.004","90","","90","","90","","2171.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0384","0.0346","","","0.0859","0.0886","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152747","5.409","0.002","11.831","0.005","22.811","0.01","90","","90","","90","","1459.8","1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O3 -","- C15 H16 F3 N O3 -","- C60 H64 F12 N4 O12 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0723","0.0472","","","0.1143","0.1266","","","","","","1.121","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152748","10.609","0.0003","15.8952","0.0004","16.3523","0.0004","93.865","0.001","100.226","0.001","90.915","0.001","2706.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N O6 -","- C26 H33 Cl1.98 N O6 -","- C104 H132 Cl7.92 N4 O24 -","4","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0562","0.0511","","","0.1364","0.1407","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152749","20.8667","0.0004","5.2047","0.0001","26.1797","0.0005","90","","90","","90","","2843.24","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0333","0.0317","","","0.0811","0.0823","","","","","","1.055","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152750","10.221","0.007","13.132","0.008","12.143","0.008","90","","106.09","0.018","90","","1566","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl N O -","- C16 H22 Cl N O -","- C64 H88 Cl4 N4 O4 -","4","1","","Reen, F. Jerry; Clarke, Sarah L.; Legendre, Claire; McSweeney, Christina M.; Eccles, Kevin S.; Lawrence, Simon E.; O'Gara, Fergal; McGlacken, Gerard P.","Structure-function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS.","Organic & biomolecular chemistry","2012","10","44","8903","8910","10.1039/c2ob26823j","","","0.71073","MoKα","","0.1238","0.0559","","","0.1402","0.169","","","","","","1.087","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152751","8.013","0.012","9.542","0.014","14.04","0.02","93.728","0.018","104.831","0.019","97.695","0.019","1023","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Yao, Liangqing; Yu, Xingxin; Mo, Chen; Wu, Jie","Synthesis of pyrazolo[5,1-a]isoquinolines via silver(i)-rhodium(i) cooperative catalysis in the reaction of N'-(2-alkynylbenzylidene)hydrazide with cycloprop-2-ene-1,1-dicarboxylate.","Organic & biomolecular chemistry","2012","10","47","9447","9451","10.1039/c2ob26824h","","","0.71073","MoKα","","0.0742","0.0644","","","0.1692","0.1798","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152752","14.1251","0.0019","11.6285","0.0015","16.905","0.002","90","","101.455","0.002","90","","2721.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0835","0.0595","","","0.1709","0.1948","","","","","","1.047","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152753","9.7306","0.0018","12.134","0.002","15.316","0.003","79.865","0.003","75.145","0.003","70.894","0.002","1643.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cl2 N2 O3 -","- C34 H24 Cl2 N2 O3 -","- C68 H48 Cl4 N4 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0921","0.0608","","","0.1721","0.1955","","","","","","0.977","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152754","10.5214","0.0014","9.2191","0.0012","32.976","0.004","90","","107.588","0.004","90","","3049.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F N2 O3 -","- C34 H25 F N2 O3 -","- C136 H100 F4 N8 O12 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.1111","0.0607","","","0.1838","0.2059","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152756","8.7989","0.0014","11.8637","0.0019","15.562","0.003","88.053","0.002","74.732","0.002","69.982","0.002","1469.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cl N3 O3 -","- C37 H26 Cl N3 O3 -","- C74 H52 Cl2 N6 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0744","0.052","","","0.1385","0.1583","","","","","","1.06","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152757","8.1013","0.0008","14.0953","0.0015","17.3131","0.0018","76.106","0.002","85.883","0.002","89.274","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N S2 -","- C20 H22 Br N S2 -","- C80 H88 Br4 N4 S8 -","4","2","","Alajarín, Mateo; Bonillo, Baltasar; Orenes, Raúl-Angel; Ortín, María-Mar; Vidal, Angel","1,5-(H, RO, RS) shift/6π-electrocyclic ring closure tandem processes on N-[(α-heterosubstituted)-2-tolyl]ketenimines: a case study of relative migratory aptitudes and activating effects.","Organic & biomolecular chemistry","2012","10","48","9523","9537","10.1039/c2ob27010b","","","0.71073","MoKα","","0.0643","0.0518","","","0.0959","0.1004","","","","","","1.12","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7153753","22.8898","0.0013","22.8898","0.0013","32.1163","0.0019","90","","90","","120","","14572.7","1.5","100","2","100","2","","","","","","","synthesis as described","4","P 62 2 2","P 62 2 (0 0 4)","180","AG.118-B","","","- C66 H96 N8 O22 -","- C66 H96 N8 O22 -","- C396 H576 N48 O132 -","6","0.5","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","x-ray","0.71073","MoKα","","0.0859","0.0718","","","0.2052","0.219","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153754","10.9625","0.0016","12.4135","0.0017","12.6502","0.0018","115.78","0.001","94.564","0.002","100.874","0.002","1496.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 N O6 S Si -","- C29 H39 N O6 S Si -","- C58 H78 N2 O12 S2 Si2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine.","Organic & biomolecular chemistry","2012","10","19","3812","3814","10.1039/c2ob25374g","","","0.71073","MoKα","","0.088","0.0529","","","0.1385","0.1622","","","","","","1.04","","","","has coordinates","180323","2020-10-21","18:00:00",""