# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:16:20+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'J. Chem. Soc., Perkin Trans. 1') 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
"1100451","18.666","0.003","19.977","0.002","21.253","0.003","90","","107.96","0.01","90","","7538.87","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H73 B Cl3 F4 P4 Rh -","- C76 H64 B F4 P4 Rh -","- C304 H256 B4 F16 P16 Rh4 -","4","1","","Breit, Bernhard; Winde, Roland; Harms, Klaus","Phosphabenzene‒rhodium catalysts for the efficient hydroformylation of terminal and internal olefins","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1997","","18","2681","2682","10.1039/a705249i","","","","","","","","","","","","","","","","","","","","","has coordinates","177527","2020-10-21","18:00:00",""
"1100503","8.766","0.001","9.673","0.001","12.647","0.001","81.71","0.01","82.07","0.01","78.91","0.01","1034.63","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","2","","Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter","Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1999","","16","2353","2365","10.1039/a902362c","","","","","","","","","","","","","","","","","","","","","has coordinates","177431","2020-10-21","18:00:00",""
"1100582","11.444","0.001","6.006","0.001","18.591","0.001","90","","91.674","0.01","90","","1277.26","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H34 N2 O7 -","- C52 H74 N4 O15 -","- C104 H148 N8 O30 -","2","0.5","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1998","","22","3717","3724","10.1039/a806744i","","","","","","","","","","","","","","","","","","","","","has coordinates","177461","2020-10-21","18:00:00",""
"1100583","5.968","0.001","8.448","0.001","21.719","0.001","90","","90","","90","","1095.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1998","","22","3717","3724","10.1039/a806744i","","","","","","","","","","","","","","","","","","","","","has coordinates","177461","2020-10-21","18:00:00",""
"7203887","35.636","0.004","9.226","0.001","17.779","0.002","90","","92.64","0.01","90","","5839.1","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N2 O5 -","- C37 H30 N2 O5 -","- C296 H240 N16 O40 -","8","1","","Kumar, Subodh; Paul, Dharam; Hundal, Geeta; Hundal, Maninder Singh; Singh, Harjit","Heterocalixarenes Part 3: Bis-oxo-bridged calix[1]cyclicurea[3]arene and calix[1]cyclicurea[1]pyridine[2]arenes. Synthesis, X-ray crystal structure and conformational analysis 1","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","1037","","10.1039/a906883j","","","0.71073","MoKα","","0.1286","0.0717","","0.2484","0.1967","","","","0.994","1.099","1.099","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203888","12.331","0.002","13.205","0.005","14.693","0.004","90","","90","","90","","2392.5","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H11 N5 O8 -","- C7 H11 N5 O8 -","- C56 H88 N40 O64 -","8","1","","Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen","Synthesis of haptens and their protein conjugates for immunological determination of nitrate esters and nitramines","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","225","","10.1039/a906884h","","","0.71073","MoKα","","0.0934","0.0619","","","0.1604","0.2401","","","","","","1.579","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203889","12.339","0.009","6.574","0.004","11.163","0.016","90","","109.86","0.08","90","","851.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O6 -","- C4 H7 N5 O6 -","- C16 H28 N20 O24 -","4","1","","Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen","Synthesis of haptens and their protein conjugates for immunological determination of nitrate esters and nitramines","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","225","","10.1039/a906884h","","","0.71073","MoKα","","0.0455","0.0394","","","0.1027","0.1104","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203916","5.1195","0.001","9.171","0.0018","21.063","0.004","90","","92.94","0.03","90","","987.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C46 H40 N8 O4 -","2","1","","Darkins, Paul; Groarke, Michelle; McKervey, M. Anthony; Moncrieff, Hazel M.; McCarthy, Noreen; Nieuwenhuyzen, Mark","Enantiopure N-protected α-amino glyoxals 1. Synthesis from α-amino acids and some condensation reactions with amines","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","381","","10.1039/a907948c","","","1.54178","CuKα","","0.0609","0.0483","","","0.1119","0.1196","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203917","10.496","0.001","11.407","0.001","18.715","0.001","90","","91.53","0.01","90","","2239.9","0.3","228","2","228","2","","","","","","","recrystallized from hexane/ethyl acetate mixed solvents","4","P 1 21/n 1","-P 2yn","14","benzonitrile","","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","2","","Tandel, Sagun; Zhang, Hongming; Qadri, Nabil; Ford, George P.; Biehl, Edward R.","The synthesis of 2-arylmethyl-6-hydroxybenzenecarbonitriles from the base-mediated aryne reaction of bromophenols with arylacetonitriles","Journal of the Chemical Society, Perkin Transactions 1","2000","","4","587","","10.1039/a907980g","","","0.71073","MoKα","","0.0901","0.0468","","0.1385","0.1108","","","","1.014","1.093","1.093","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203930","8.2243","0.0005","10.4546","0.0008","14.535","0.003","80.443","0.007","84.476","0.008","70.578","0.005","1161.1","0.3","253","","253","","","","","","","","","5","P -1","-P 1","2","","(2S*,9S*)-2-Benzenesulfonyl-12-(toluene-4-sulfonyl)-12-aza- bicyclo[7.2.1]dodeca-1(11)-ene","","?","- C24 H29 N O4 S2 -","- C48 H58 N2 O8 S4 -","2","1","","Bamford, Samantha J.; Goubitz, Kees; van Lingen, Hester L.; Luker, Tim; Schenk, Henk; Hiemstra, Henk","Formation of medium-size bridged ring systems via ring-closing metathesis of 2,5-disubstituted-2,3-dihydro-1H-pyrroles","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","345","","10.1039/a908272g","","","1.5418","Cu-Kα","","0.086","0.07","","0.071","0.064","","","","0.921","0.937","0.937","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203931","6.7596","0.0007","8.7092","0.001","26.1866","0.0019","90","","90","","90","","1541.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cl N O6 -","- C12 H18 Cl N O6 -","- C48 H72 Cl4 N4 O24 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.1161","0.0562","","","0.1194","0.1478","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203932","9.92","0.001","10.103","0.001","25.963","0.002","90","","90","","90","","2602.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N O5 Si -","- C24 H30 Cl N O5 Si -","- C96 H120 Cl4 N4 O20 Si4 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.1265","0.0582","","","0.0972","0.1201","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203933","10.005","0.001","12.53","0.001","23.255","0.002","90","","90","","90","","2915.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Cl N O5 Si -","- C29 H36 Cl N O5 Si -","- C116 H144 Cl4 N4 O20 Si4 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.2034","0.0677","","","0.1042","0.1465","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203935","6.1029","0.0016","13.105","0.002","14.153","0.002","90","","94.418","0.015","90","","1128.6","0.4","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 F O6 -","- C25 H31 F O6 -","- C50 H62 F2 O12 -","2","1","","Keith Biggadike; Sean M. Lynn; Panayiotis A. Procopiou; Rupert E. Shaw; Christopher Williamson","Novel glucocorticoid antedrugs possessing a C16,17-fused γ-lactone ring","J. Chem. Soc., Perkin Trans. 1","2000","","5","813","818","10.1039/a908358h","","","1.54184","CuKα","","0.1104","0.073","","0.1973","0.1707","","","","1.043","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203936","10.032","0.002","10.9","0.002","24.779","0.005","90","","90","","90","","2709.6","0.9","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kendomycin","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Bode, Helge B.; Zeeck, Axel","Structure and biosynthesis of kendomycin, a carbocyclic ansa-compound from Streptomyces","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","323","","10.1039/a908387a","","","0.71073","MoKα","","0.0655","0.0441","","","0.0864","0.0925","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203937","6.2928","0.0009","19.505","0.003","10.367","0.002","90","","96.581","0.014","90","","1264.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O3 S2 -","- C12 H14 O3 S2 -","- C48 H56 O12 S8 -","4","1","","Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M.","Concerning the synthesis and enantioselective rearrangements of episulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","153","","10.1039/a908391j","","","0.71073","MoKα","","0.0625","0.0447","","0.1104","0.0969","","","","1.16","1.148","1.148","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203938","9.907","0.007","5.888","0.004","12.317","0.006","90","","103.06","0.05","90","","699.9","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S2 -","- C13 H16 O4 S2 -","- C26 H32 O8 S4 -","2","1","","Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M.","Concerning the synthesis and enantioselective rearrangements of episulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","153","","10.1039/a908391j","","","0.71073","MoKα","","0.0298","0.0264","","0.0641","0.0611","","","","1.118","1.096","1.096","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203939","6.101","0.002","8.826","0.004","7.894","0.003","90","","98.54","0.03","90","","420.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 S -","- C8 H12 O2 S -","- C16 H24 O4 S2 -","2","1","","Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M.","Concerning the synthesis and enantioselective rearrangements of episulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","153","","10.1039/a908391j","","","0.71073","MoKα","","0.0567","0.0522","","","0.1364","0.142","","","","","","1.075","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203941","11.836","0.001","19.401","0.002","10.58","0.001","90","","110.81","0.01","90","","2271","0.4","288.2","","288.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N2 O2 Sn -","- C26 H28 N2 O2 Sn0.5 -","- C104 H112 N8 O8 Sn2 -","4","0.5","","Kitamura, Chitoshi; Maeda, Naoyuki; Kamada, Noboru; Ouchi, Mikio; Yoneda, Akio","Synthesis of 2-(substituted methyl)quinolin-8-ols and their complexation with Sn(II)","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","781","","10.1039/a908636f","","","0.7107","MoKα","","0.0498","0.05","","0.067","","0.067","","","2.781","","","2.78","","","","has coordinates","277929","2022-09-16","21:37:38",""
"7203944","7.046","0.001","7.204","0.001","31.591","0.004","90","","90","","90","","1603.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ro 67-3926","3-Hydroxy-2-hydroxymethyl-10-phenyl-2,3,9,10-tetrahydro-1- oxa-9-aza-anthrazen-4-one","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter","Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","753","","10.1039/a908806g","","","1.54178","CuKα","","0.057","0.0559","","","0.1519","0.1529","","","","","","1.137","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203945","23.144","0.002","11.273","0.002","12.357","0.001","90","","114.86","0.01","90","","2925.2","0.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H27 Cl4 N O8 -","- C28 H27 Cl4 N O8 -","- C112 H108 Cl16 N4 O32 -","4","1","","Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter","Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","753","","10.1039/a908806g","","","1.54178","CuKα","","0.0603","0.0586","","","0.1602","0.1627","","","","","","1.048","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203950","10.453","0.004","23.017","0.009","12.223","0.003","90","","102.83","0.03","90","","2867.4","1.8","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C120 H208 O24 -","8","2","","Muri, Estela; Kanazawa, Alice; Barreiro, Eliezer; Greene, Andrew E.","Asymmetric synthesis of 3β-angeloyloxy-4β-hydroxyeudesman-8-one, purported sesquiterpene from Pluchea quitoc †","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","731","","10.1039/a909112b","","","0.7107","MoKα","","0.0627","0.0627","","0.0595","","0.0595","","","2.663","","","2.663","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7203956","9.404","0.003","16.703","0.004","5.777","0.001","96.67","0.02","107.37","0.02","83.96","0.02","857.8","0.4","193.2","","193.2","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 O P Se -","- C20 H19 O P Se -","- C40 H38 O2 P2 Se2 -","2","1","","Murai, Toshiaki; Izumi, Chiyoko; Itoh, Toshihide; Kato, Shinzi","Reactions of selenothioic acid S-esters with trivalent phosphorus compounds: new synthetic methods for α-phosphoryl alkyl sulfides and alkyl selenides","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","917","","10.1039/a909469e","","","0.7107","MoKα","","0.0344","0.0344","","","0.0363","0.0363","","","","","","1.456","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203957","8.254","0.0016","11.229","0.0015","20.088","0.002","90","","90","","90","","1861.8","0.5","123","2","123","2","","","","","","","","3","P b n a","-P 2ac 2b","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Johnston, Derek; McCusker, Catherine F.; Muir, Kenneth; Procter, David J.","Samarium(II)-mediated 4-exo-trig cyclisations of unsaturated aldehydes. A stereoselective approach to functionalised cyclobutanols","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","681","","10.1039/a909549g","","","0.71073","MoKα","","0.0977","0.0505","","","0.1181","0.1405","","","","","","1.026","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204042","11.131","0.004","25.771","0.004","8.699","0.003","90","","90","","90","","2495.4","1.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C96 H72 Cl16 N8 O24 -","8","1","","Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D.","Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ®","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1168","","10.1039/b008081k","","","0.7107","MoKα","","","0.059","","","","0.048","","","","","","1.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204043","14.092","0.004","8.212","0.005","21.719","0.004","90","","93.06","0.02","90","","2509.8","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C96 H72 Cl16 N8 O24 -","8","2","","Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D.","Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ®","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1168","","10.1039/b008081k","","","0.7107","MoKα","","","0.063","","","","0.05","","","","","","2.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204057","8.775","0.006","14.312","0.003","30.069","0.007","85.76","0.02","81.87","0.04","85.32","0.04","3718","3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H110 N12 O10 -","- C75 H108 N12 O10 -","- C150 H216 N24 O20 -","2","1","","Reichert, Anja; Fröhlich, Roland; Ferguson, Roderick; Kraft, Arno","Binding interactions between 3-aryl-1,2,4-oxadiazol-5-ones and a trisimidazoline base","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1321","","10.1039/b009451j","","","1.54178","CuKα","","0.3872","0.0957","","","0.2043","0.3023","","","","","","0.959","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204065","5.063","0.004","29.246","0.006","16.325","0.002","90","","95.98","0.03","90","","2404","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(p-anisidino)-8-tosylimino pyrimido[5,4-d]pyrimidina-2-one","","- C22 H24 N6 O7 S -","- C22 H24 N6 O7 S -","- C88 H96 N24 O28 S4 -","4","1","","Booth, Brian L.; Cabral, Isabel M.; Dias, Alice M.; Freitas, A. Paula; Matos Beja, Ana M.; Proença, M. Fernanda; Silva, Manuela Ramos","A new and efficient approach to the synthesis of 6-amidino-2-oxopurines","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1241","","10.1039/b010224p","","","0.71073","MoKα","","0.1246","0.0378","","","0.0925","0.1167","","","","","","0.987","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204094","7.4927","0.001","17.788","0.004","30.694","0.003","90","","90","","90","","4090.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N O S Si -","- C19 H26 Cl N O S Si -","- C152 H208 Cl8 N8 O8 S8 Si8 -","8","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0596","0.0466","","0.1364","0.1232","","","","1.046","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204095","8.0792","0.0013","8.1905","0.0008","15.983","0.002","77.493","0.006","86.74","0.012","71.463","0.012","978.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 N O S Si -","- C19 H27 N O S Si -","- C38 H54 N2 O2 S2 Si2 -","2","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0453","0.0373","","0.1107","0.1006","","","","1.059","1.08","1.08","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204096","21.714","0.003","9.2748","0.0008","15.3842","0.0012","90","","101.432","0.009","90","","3036.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N O3 S2 -","- C16 H11 N O3 S2 -","- C128 H88 N8 O24 S16 -","8","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","0.71073","MoKα","","0.0516","0.04","","0.108","0.099","","","","1.036","1.071","1.071","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204097","8.8669","0.0009","8.9717","0.001","10.3455","0.0011","88.032","0.007","68.422","0.007","68.794","0.006","708.86","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O S2 -","- C16 H11 N O S2 -","- C32 H22 N2 O2 S4 -","2","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","0.71073","MoKα","","0.0549","0.0415","","0.1193","0.1077","","","","1.045","1.082","1.082","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204098","6.3133","0.0003","10.9118","0.0007","15.324","0.002","90","","96.85","0.006","90","","1048.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N O3 S -","- C11 H7 N O3 S -","- C44 H28 N4 O12 S4 -","4","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0433","0.0341","","0.1009","0.0905","","","","1.106","1.124","1.124","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204099","8.1189","0.0003","10.5252","0.0004","11.2494","0.0003","100.943","0.003","103.565","0.003","93.725","0.003","911.43","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C40 H34 N10 O4 -","2","1","","Kobayashi, Tomoshige; Miki, Kiyomi; Nikaeen, Behrooz; Ohta, Akira","Neighboring group effect of pyridazine and pyrazine rings for π-facial selectivity in the reactions of fused isopropylidenenorbornene systems with electrophilic reagents","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1372","","10.1039/b101330k","","","1.54178","CuKα","","0.0475","0.0424","","0.1185","0.1129","","","","1.035","1.049","1.049","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204112","25.365","0.011","11.86","0.005","12.158","0.006","90","","116.14","0.04","90","","3283","3","296.2","","296.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C120 H184 N8 O32 -","8","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","1.5418","CuKα","","0.1106","0.0747","","","0.2223","0.2549","","","","","","1.009","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204113","9.886","0.005","12.422","0.005","7.391","0.002","93.16","0.03","95.88","0.03","111.93","0.03","833.2","0.6","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","0.7107","MoKα","","0.2236","0.0878","","","0.1722","0.2176","","","","","","1.067","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204114","7.31","","10.038","","12.314","","111.2","","93.03","","95.48","","834.847","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","0.71069","MoKα","","0.0456","0.0377","","","0.1022","0.1091","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204132","10.77","0.005","11.26","0.004","15.146","0.007","90","","105.77","0.04","90","","1767.6","1.4","293.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","0.7107","MoKα","","","0","","","","0.0597","","","","","","1.22","","","","has coordinates","275178","2022-05-07","01:06:25",""
"7204133","13.21","0.003","14.508","0.003","13.117","0.002","100.26","0.02","107.11","0.02","116.99","0.01","1992.5","0.9","295.7","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 O8 S4 -","- C40 H48 O8 S4 -","- C80 H96 O16 S8 -","2","1","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","0.7107","MoKα","","","0.0595","","","","0.0876","","","","","","1.342","","","","has coordinates","275178","2022-05-07","01:06:25",""
"7204134","23.388","0.002","17.227","0.002","7.655","0.001","89","","89","","90","","3083.3","0.6","298.2","","298.2","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H40 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","1.5418","CuKα","","","0.0573","","","0.0846","","","","","1.398","1.398","","","","","has coordinates","277937","2022-09-17","11:56:49",""
"7204135","14.3011","0.0009","7.608","0.001","15.421","0.001","90","","113.246","0.005","90","","1541.6","0.3","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O6 -","- C36 H40 O6 -","- C72 H80 O12 -","2","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","1.5418","CuKα","","","0.061","","","0.11","","","","","1.758","1.758","","","","","has coordinates","275178","2022-05-07","01:06:25",""
"7204144","38.754","0.008","7.958","0.0016","20.954","0.004","90","","90","","90","","6462","2","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H19 N7 O -","- C16 H19 N7 O -","- C256 H304 N112 O16 -","16","2","","Julian S. Northen; F. Thomas Boyle; William Clegg; Nicola J. Curtin; Andrew J. Edwards; Roger J. Griffin; Bernard T. Golding","Controlled stepwise conversion of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine into 2,4,6,8-tetrasubstituted pyrimido[5,4-d]pyrimidines","J. Chem. Soc., Perkin Trans. 1","2002","","1","108","115","10.1039/b102224p","","","0.6889","synchrotron","","0.1088","0.0558","","","0.1206","0.1386","","","","","","0.893","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204155","6.136","","30.47","","9.285","","90","","102.81","","90","","1692.75","","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-amino-3-(6-hexenyl)-imino-1,2,6,7-tetracyano-pyrrolizine","","- C17 H13 N7 -","- C17 H13 N7 -","- C68 H52 N28 -","4","1","","Flamini, Alberto; Fares, Vincenzo; Capobianchi, Aldo; Valentini, Veronica","5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine: synthesis of alkylimino derivatives. X-Ray crystal and molecular structures of the hex-5-enyl, and Langmuir–Blodgett film of the octyl and octadecyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3069","","10.1039/b103423p","","","1.5418","CuKα","","0.1005","0.0684","","0.1094","0.0982","","","","","2.2","2.2","","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7204183","5.3164","0.0003","11.9673","0.0007","20.8468","0.0012","90","","90","","90","","1326.33","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0394","0.0333","","","0.0798","0.0835","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204184","7.715","0.0006","8.0282","0.0006","10.0287","0.0008","90","","109.876","0.002","90","","584.15","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.031","0.0298","","","0.0799","0.0807","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204185","10.5447","0.001","9.5411","0.0009","14.7057","0.0013","90","","94.006","0.002","90","","1475.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0495","0.0349","","","0.0735","0.0786","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204186","7.5509","0.0007","7.9475","0.0008","23.423","0.002","90","","90","","90","","1405.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O S -","- C15 H26 O S -","- C60 H104 O4 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0481","0.0453","","","0.1138","0.116","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204187","5.2525","0.0019","10.029","0.004","17.826","0.007","90","","90","","90","","939","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O3 S -","- C8 H14 O3 S -","- C32 H56 O12 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0709","0.0638","","","0.1515","0.1577","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204193","27.0233","0.0002","14.3417","0.0003","20.1259","0.0004","90","","96.751","0.001","90","","7745.9","0.2","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H21 B Br N O P -","- C18 H21 B Br N O P -","- C288 H336 B16 Br16 N16 O16 P16 -","16","4","","Leung, Wilson; Cosway, Sarah; Jones, Raymond H. V.; McCann, Hannah; Wills, Martin","Synthesis of dihydrobenzazaphosphole ligands via an intramolecular cyclisation reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2588","","10.1039/b105495n","","","0.71073","MoKα","","0.1126","0.0521","","0.1167","0.0954","","","","0.947","1.042","1.042","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204199","11.315","0.003","14.21","0.002","17.368","0.005","90","","90","","90","","2792.5","1.2","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O7 -","- C31 H29 N3 O7 -","- C124 H116 N12 O28 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0784","0.0537","","","0.127","0.1462","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204200","9.649","0.002","9.283","0.006","15.152","0.005","90","","96.69","0.01","90","","1347.9","1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O4 Si -","- C27 H35 N3 O4 Si -","- C54 H70 N6 O8 Si2 -","2","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0698","0.045","","0.0994","0.0883","","","","1.031","1.05","1.05","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204201","8.889","0.002","11.391","0.002","23.399","0.004","90","","90","","90","","2369.3","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N3 O3 Si -","- C23 H29 N3 O3 Si -","- C92 H116 N12 O12 Si4 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0867","0.0537","","0.1387","0.1186","","","","0.955","0.991","0.991","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204202","10.167","0.002","25.688","0.003","10.311","0.002","90","","115.86","0.01","90","","2423.3","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.2507","0.1069","","","0.2588","0.3598","","","","","","1.76","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204203","9.28","0.002","14.826","0.001","18.246","0.002","90","","90","","90","","2510.4","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.1188","0.0588","","","0.118","0.1444","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204211","6.5432","0.0013","16.283","0.003","11.42","0.002","90","","94.81","0.03","90","","1212.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3a,5,5,6,7a-pentachloro-tetrahydro(1,3)dithiolo(4,5-b)(1,4)dithiin-2-one","","- C5 H Cl5 O S4 -","- C5 H Cl5 O S4 -","- C20 H4 Cl20 O4 S16 -","4","1","","Olivier J. Dautel; Marc Fourmigué","Polyhalogenated BEDT-TTF through chlorination (SO2Cl2, Cl2) and fluorination (®Selectfluor, XeF2) of 5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one","J. Chem. Soc., Perkin Trans. 1","2001","","24","3399","3402","10.1039/b106144p","","","0.71073","MoKα","","0.0655","0.0379","","","0.0926","0.0983","","","","","","0.892","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204219","5.634","0.007","16.312","0.006","11.909","0.006","90","","94.2","0.09","90","","1091.5","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Charrier, Jean-Damien; Duffy, James E. S.; Hitchcock, Peter B.; Young, Douglas W.","Unusual stereoselectivity in the alkylation of pyroglutamate ester urethanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2367","","10.1039/b106451g","","","0.71073","MoKα","","0.0769","0.0603","","0.1694","0.1514","","","","1.095","1.092","1.092","","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204226","17.086","0.011","6.566","0.007","20.949","0.009","90","","101.53","0.04","90","","2303","3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O9 S -","- C23 H26 N2 O9 S -","- C92 H104 N8 O36 S4 -","4","1","","Christlieb, Martin; Davies, John E.; Eames, Jason; Hooley, Richard; Warren, Stuart","The stereoselective synthesis of oxetanes; exploration of a new, Mitsunobu-style procedure for the cyclisation of 1,3-diols","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2983","","10.1039/b106851b","","","0.71069","MoKα","","0.1434","0.0695","","","0.1457","0.1781","","","","","","1.013","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204229","5.9721","0.0003","8.5759","0.0004","30.5762","0.0009","90","","90","","90","","1565.99","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Marcello Nicoletti; David O'Hagan; Alexandra M. Z. Slawin","The asymmetric Bischler‒Napieralski reaction: preparation of 1,3,4-trisubstituted 1,2,3,4-tetrahydroisoquinolines","J. Chem. Soc., Perkin Trans. 1","2002","","1","116","121","10.1039/b106942j","","","0.71073","MoKα","","0.0474","0.0344","","","0.0647","0.0678","","","","","","0.872","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204230","9.4794","0.0003","10.2277","0.0003","19.5795","0.0004","90","","90","","90","","1898.28","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N -","- C24 H23 N -","- C96 H92 N4 -","4","1","","Marcello Nicoletti; David O'Hagan; Alexandra M. Z. Slawin","The asymmetric Bischler‒Napieralski reaction: preparation of 1,3,4-trisubstituted 1,2,3,4-tetrahydroisoquinolines","J. Chem. Soc., Perkin Trans. 1","2002","","1","116","121","10.1039/b106942j","","","0.71073","MoKα","","0.0742","0.046","","","0.0776","0.0869","","","","","","0.957","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204231","10.12","0.002","11.74","0.002","25.984","0.005","90","","91.78","0.03","90","","3085.6","1","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Cl2 N O4 -","- C15 H15 Cl2 N O4 -","- C120 H120 Cl16 N8 O32 -","8","2","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.058","0.0434","","","0.1054","0.1109","","","","","","0.951","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204232","9.0873","0.0018","9.1031","0.0018","9.6666","0.0019","84.86","0.03","82.88","0.03","69.28","0.03","741.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cl2 N O4 -","- C14 H13 Cl2 N O4 -","- C28 H26 Cl4 N2 O8 -","2","1","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.0439","0.0349","","","0.09","0.0936","","","","","","1.052","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204233","18.731","0.013","8.372","0.004","19.99","0.03","90","","117.72","0.14","90","","2775","6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.1102","0.0441","","","0.0903","0.1083","","","","","","0.762","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204234","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Aggarwal, Varinder K.; Charmant, Jonathan P. H.; Ciampi, Cinzia; Hornby, Jonathan M.; O'Brien, Christopher J.; Hynd, George; Parsons, Richard","Additions of stabilised and semi-stabilised sulfur ylides to tosyl protected imines: are they under kinetic or thermodynamic control?","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3159","","10.1039/b107275g","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204235","10.8889","0.0002","14.1687","0.0008","14.6071","0.0002","117.946","0.001","91.825","0.001","96.606","0.001","1968.13","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","4'-(4-butoxyphenyl)-4,2';6',4''-terpyridine","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","2","","Cave, Gareth W. V.; Raston, Colin L.","Efficient synthesis of pyridines via a sequential solventless aldol condensation and Michael addition","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3258","3264","10.1039/b107302h","","","0.71073","MoKα","","0.1111","0.0577","","","0.1449","0.192","","","","","","1.042","","","","has coordinates","180547","2020-10-21","18:00:00",""
"7204242","11.8436","0.0006","12.9482","0.0006","16.3048","0.0008","90","","90","","90","","2500.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","spirocaesalmin","","","- C25 H34 O10 -","- C25 H34 O10 -","- C100 H136 O40 -","4","1","","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Mak, Thomas C. W.","Isolation and characterization of spirocaesalmin, a novel rearranged vouacapane diterpenoid from Caesalpinia minax Hance","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2920","","10.1039/b107473n","","","0.71073","MoKα","","0.0645","0.0391","","","0.0838","0.0944","","","","","","0.958","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204243","24.895","0.001","16.481","0.001","10.298","0.001","90","","93.967","0.009","90","","4215.1","0.5","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-{(Z)-2-[3-methyl-5-phenyl-1-(1,2,4-triazolo[4,3-b]pyridazin-6-yl) -1H-pyrazol-4-yl]ethenyl}benzamide","","- C24 H19 N7 O -","- C24 H19 N7 O -","- C192 H152 N56 O8 -","8","1","","Lidija Vraniar; Anton Meden; Slovenko Polanc; Marijan Koevar","α,β-Didehydroamino acid derivatives with an isoxazolyl or a pyrazolyl moiety: The effect of substituents and reaction conditions on their stereoselective formation from 2H-pyran-2-ones","J. Chem. Soc., Perkin Trans. 1","2002","","5","675","681","10.1039/b107624h","","","0.71073","MoKα","","0.115","0.066","","0.052","","0.045","","","","","","1.049","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7204247","33.8039","0.0031","7.8999","0.0009","11.7328","0.0009","90","","97.615","0.007","90","","3105.6","0.5","293","","293","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus","Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","809","","10.1039/b107751a","","","1.5418","CuKα","","","0.0382","","","0.0419","","","","","1.0995","1.0995","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204248","7.6365","0.0005","15.3853","0.0012","9.7993","0.0006","90","","94.771","0.005","90","","1147.33","0.14","293","","293","","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N8 -","- C28 H18 N8 -","- C56 H36 N16 -","2","0.5","","Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus","Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","809","","10.1039/b107751a","","","0.71069","MoKα","","","0.0386","","","0.0401","","","","","1.1861","1.1861","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204249","9.4955","0.0001","27.5691","0.0003","17.9795","0.0002","90","","92.8582","0.0008","90","","4700.86","0.09","293","","293","","","","","","","","?","3","P 1 21/a 1","-P 2yab","14","","","","- C58 H38 N14 -","- C29 H19 N7 -","- C232 H152 N56 -","8","2","","Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus","Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","809","","10.1039/b107751a","","","0.71073","MoKα","","","0.0522","","","0.0805","","","","","0.8836","0.8836","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204250","10.807","0.001","12.29","0.002","6.044","0.001","102.16","0.01","90.42","0.01","99.49","0.01","773.3","0.2","299.2","","299.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C32 H54 N2 O4 -","2","1","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","1.5418","CuKα","","0.051","0.038","","0.041","","0.04","","","2.94","","","3.22","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204251","10.999","0.001","5.926","0.006","26.445","0.002","90","","99.11","0.01","90","","1701.9","1.7","299.2","","299.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 I N O2 -","- C15 H24 I N O2 -","- C60 H96 I4 N4 O8 -","4","1","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","0.7107","MoKα","","0.0715","0.041","","0.042","","0.04","","","2.525","","","3.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204252","13.151","0.003","21.506","0.003","7.204","0.003","90","","90","","90","","2037.5","1","299.2","","299.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 I N O2 Si -","- C16 H30 I N O2 Si -","- C64 H120 I4 N4 O8 Si4 -","4","1","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","0.7107","MoKα","","0.1281","0.044","","0.054","","0.045","","","1.407","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204253","20.714","0.001","6.033","0.001","21.606","0.001","90","","90","0.5","90","","2700","0.5","299.2","","299.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","2","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","1.5418","CuKα","","0.1332","0.094","","0.111","","0.108","","","3.464","","","4.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204254","8.536","0.002","11.15","0.003","10.547","0.002","90","","105.4","0.02","90","","967.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N O -","- C10 H17 N O -","- C40 H68 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","0.71073","MoKα","","0.0827","0.057","","","0.119","0.1407","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204255","18.996","0.002","8.413","0.003","6.982","0.002","90","","90","","90","","1115.8","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","1.5418","CuKα","","0.0643","0.0541","","","0.1345","0.141","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204256","7.554","0.004","7.161","0.003","19.49","0.02","90","","100.12","0.08","90","","1037.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","0.71073","MoKα","","0.1263","0.075","","","0.1587","0.1988","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204260","28.33","0.001","12.851","0.001","19.354","0.001","90","","131.75","0.01","90","","5256.9","1","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,8-dimethyl-2,7-dioxo-3H,8H-pyrimido[6',5':4,5]tieno[2,3-d]pyrimidine hydrate","","- C20 H27.5 N8 O9.75 S2 -","- C20 H19 N8 O9.75 S2 -","- C160 H152 N64 O78 S16 -","8","1","","Grażyna Wenska; Katarzyna Taras-Goślińska; Katarzyna Lamparska-Kupsik; Bohdan Skalski; Maria Gdaniec; Zofia Gdaniec","Photochemical transformations of 5-halogeno-4-thiouridines","J. Chem. Soc., Perkin Trans. 1","2002","","1","53","57","10.1039/b108380e","","","0.71073","MoKα","","0.0973","0.0647","","","0.1581","0.18","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204261","10.922","0.002","9.557","0.001","13.551","0.003","90","","113.2","0.01","90","","1300.1","0.4","123.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Kyu-Tae Chang; Yong Hyun Choi; Seung-Ho Kim; Yong-Jin Yoon; Woo Song Lee","Regioselective synthesis of pyrazoles via the ring cleavage of 3-substituted N-alkylated 3-hydroxyisoindolin-1-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","207","210","10.1039/b108485m","","","0.7107","MoKα","","","0.058","","","","0.1538","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204265","5.666","0.002","8.4652","0.001","10.4672","0.0009","109.348","0.007","98.654","0.014","95.745","0.012","462.21","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 B O4 -","- C9 H11 B O4 -","- C18 H22 B2 O8 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.0482","0.0429","","0.1225","0.1153","","","","1.077","1.097","1.097","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204266","10.8222","0.0014","11.509","0.002","17.707","0.002","90","","90","","90","","2205.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cr O6 -","- C24 H20 Cr O6 -","- C96 H80 Cr4 O24 -","4","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0442","0.0383","","0.094","0.0899","","","","1.032","1.048","1.048","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204267","12.5356","0.0015","12.5356","0.0015","13.273","0.002","90","","90","","120","","1806.3","0.4","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C26 H24 Cr O8 -","- C26 H24 Cr O8 -","- C78 H72 Cr3 O24 -","3","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.198","0.0879","","0.1789","0.1245","","","","1.051","1.271","1.271","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204268","6.6813","0.0006","13.75","0.002","7.4108","0.0006","90","","106.179","0.006","90","","653.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H10 Cr O6 -","- C12 H10 Cr O6 -","- C24 H20 Cr2 O12 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0498","0.0396","","0.0972","0.09","","","","1.043","1.056","1.056","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204269","8.3515","0.0013","10.1419","0.0012","20.393","0.002","91.132","0.009","91.211","0.01","110.571","0.01","1616.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Cr O9 Si -","- C30 H42 Cr O9 Si -","- C60 H84 Cr2 O18 Si2 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.0828","0.0576","","0.1625","0.1421","","","","1.031","1.088","1.088","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204270","8.813","0.001","11.418","0.002","18.102","0.002","90","","103.54","0.01","90","","1770.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Patrick D. Bailey; Neill Bannister; Marine Bernad; Sophie Blanchard; Andrew N. Boa","Synthesis of conformationally constrained amino acid and peptide derivatives","J. Chem. Soc., Perkin Trans. 1","2001","","24","3245","3251","10.1039/b108872f","","","0.71073","MoKα","","0.0476","0.0372","","0.101","0.0933","","","","1.022","1.046","1.046","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204271","9.483","0.0003","13.984","0.0004","23.239","0.0006","90","","90","","90","","3081.73","0.15","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 O6 P -","- C31 H43 O6 P -","- C124 H172 O24 P4 -","4","1","","Ryukichi Takagi; Miki Hashizume; Minoru Nakamura; Shahnaz Begum; Yoshikazu Hiraga; Satoshi Kojima; Katsuo Ohkata","Stereochemical considerations on the stereoselective cyclopropanation reactions of 3-aryl-2-phosphonoacrylates induced by the (−)-8-phenylmenthyl group as a chiral auxiliary","J. Chem. Soc., Perkin Trans. 1","2002","","2","179","190","10.1039/b108925k","","","0.7107","MoKα","","","0.0805","","","","0.1477","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204281","5.0379","0.0003","10.1066","0.0007","12.7865","0.0009","83.577","0.002","81.897","0.002","76.475","0.002","624.55","0.07","160","2","160","2","","","","","","","","4","P 1","P 1","1","N-Z-hPhe-[CN4]-Gly-OBn","","","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","1","1","","Barnaby C. H. May; Andrew D. Abell","α-Methylene tetrazole-based peptidomimetics: synthesis and inhibition of HIV protease","J. Chem. Soc., Perkin Trans. 1","2002","","2","172","178","10.1039/b109128j","","","0.71073","MoKα","","0.0427","0.0359","","0.0957","0.0898","","","","1.064","1.068","1.068","","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204288","15.26","0.002","16.228","0.002","13.263","0.002","90","","90","","90","","3284.4","0.8","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 O3 -","- C42 H38 O3 -","- C168 H152 O12 -","4","1","","Koshiishi, Eiji; Hattori, Tetsutaro; Ichihara, Naoki; Miyano, Sotaro","7-Mesityl-2,2-dimethylindan-1-ol: a novel alcohol which serves as both a chiral auxiliary and a protective group for carboxy functions","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","377","","10.1039/b109396g","","","0.7107","MoKα","","","0.0329","","","0.0291","","","","","1.677","1.677","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204297","6.536","0.003","11.364","0.005","16.594","0.008","90","","106.196","0.007","90","","1183.6","0.9","173.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Ohkita, Masakazu; Kawai, Hidetoshi; Tsuji, Takashi","Intramolecular Diels‒Alder reaction of cyclopenta-1,3-diene derivatives generated in situ from 4-(pent-4-enyl)cyclopent-2-enone ethylene ketals","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","366","","10.1039/b109614a","","","0.7107","MoKα","","","0.0427","","","","0.0561","","","","","","1.405","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204298","6.477","0.004","11.026","0.006","19.42","0.01","90","","100.121","0.01","90","","1365.3","1.3","153.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Ohkita, Masakazu; Kawai, Hidetoshi; Tsuji, Takashi","Intramolecular Diels‒Alder reaction of cyclopenta-1,3-diene derivatives generated in situ from 4-(pent-4-enyl)cyclopent-2-enone ethylene ketals","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","366","","10.1039/b109614a","","","0.7107","MoKα","","","0.0442","","","","0.0479","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204299","19.2158","0.0001","9.2422","0.0002","15.6965","0.0003","90","","121.111","0.001","90","","2386.69","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C112 H88 N8 O32 -","8","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.1383","0.0789","","","0.1902","0.2124","","","","","","0.886","","","","has coordinates","274634","2022-04-22","15:35:49",""
"7204300","15.9269","0.0006","10.814","0.0002","8.8675","0.0003","90","","101.985","0.001","90","","1493.99","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.1693","0.0662","","","0.1404","0.1716","","","","","","0.803","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204301","9.0926","0.0004","9.1306","0.0004","12.1838","0.0005","90","","98.03","0.001","90","","1001.59","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O7 -","- C24 H18 N2 O7 -","- C48 H36 N4 O14 -","2","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.0962","0.0652","","","0.1623","0.2037","","","","","","0.941","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204302","8.366","0.0017","9.6653","0.0019","9.7304","0.0019","68.82","0.03","68.35","0.03","68.44","0.03","656.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.1138","0.0742","","","0.1933","0.2025","","","","","","0.972","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204303","19.817","0.001","11.7579","0.0006","8.9452","0.0003","90","","96.358","0.002","90","","2071.47","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C88 H92 N4 O24 -","4","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.2382","0.1173","","","0.2726","0.3411","","","","","","0.88","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204304","8.2141","0.0008","8.7676","0.0008","12.0117","0.0011","104.046","0.002","105.633","0.002","101.122","0.002","776.65","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","345","353","10.1039/b109697d","","","0.71073","MoKα","","0.1514","0.0835","","","0.2189","0.2592","","","","","","0.963","","","","has coordinates","274634","2022-04-22","15:35:50",""
"7204307","12.78","0.008","14.281","0.007","14.546","0.008","97.162","0.006","97.805","0.006","103.87","0.006","2519","2","150","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C57.75 H65 N6 Zn -","- C57.75 H56 N6 Zn -","- C115.5 H112 N12 Zn2 -","2","1","","Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.","Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","320","","10.1039/b109915a","","","0.71073","MoKα","","0.087","0.0702","","0.2092","0.1925","","","","1.044","1.11","1.11","","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204308","13.393","0.0007","13.479","0.0005","17.948","0.0009","95.685","0.003","95.402","0.002","104.11","0.003","3103.3","0.3","150","","150","","","","","","","","?","5","P -1","-P 1","2","","","","- C69 H68 N7 Si Zn -","- C69 H68 N7 Si Zn -","- C138 H136 N14 Si2 Zn2 -","2","1","","Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.","Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","320","","10.1039/b109915a","","","0.71073","MoKα","","","0.0592","","","","0.0659","","","","","","0.9152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204309","15.0697","0.0008","19.5369","0.001","20.9405","0.0011","90","","90","","90","","6165.2","0.6","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65 H70.5 N6.5 Zn -","- C65.5 H62 N6 Zn -","- C262 H248 N24 Zn4 -","4","1","","Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.","Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","320","","10.1039/b109915a","","","0.6883","synchrotron","","0.0869","0.0741","","","0.2025","0.2115","","","","","","1.054","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204310","15.839","0.003","19.805","0.005","18.687","0.004","90","","111.46","0.01","90","","5456","2","150","","150","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl3 N5 Zn -","- C62 H64 Cl3 N5 Zn -","- C248 H256 Cl12 N20 Zn4 -","4","1","","Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.","Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","320","","10.1039/b109915a","","","0.71069","MoKα","","","0.0579","","","","0.0692","","","","","","1.2535","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204311","12.411","0.003","10.042","0.002","22.419","0.004","90","","100.08","0.02","90","","2751","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 N3 O S -","- C31 H31 N3 O S -","- C124 H124 N12 O4 S4 -","4","1","","Sharma, Arun K.; Jayakumar, S.; Hundal, Maninder S.; Mahajan, Mohinder P.","Tandem sigmatropic shifts in [4 + 2] cycloaddition reactions of 1,3-diazabuta-1,3-dienes with butadienylketene: synthesis of pyrimidinone derivatives","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","774","","10.1039/b109922c","","","0.71073","MoKα","","0.1563","0.0716","","0.2182","0.1558","","","","1.087","1.256","1.256","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204315","7.7843","0.0011","15.848","0.002","13.0532","0.0018","90","","103.416","0.004","90","","1566.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 2-[5-ethoxycarbonyl-2-(1-pyrrolo)thiazol-4-yl]-2-iminoethanoate","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","","Diana Bričkutė; Frank A. Sløk; Christian Rømming; Algirdas Šačkus","Facile synthesis of 2-substituted ethyl 2-(2-amino-5-ethoxycarbonylthiazol-4-yl)ethanoates","J. Chem. Soc., Perkin Trans. 1","2002","","5","652","656","10.1039/b110022j","","","0.71073","MoKα","","0.0647","0.0398","","","0.0966","0.1134","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204316","7.5226","0.0015","9.1659","0.0018","9.3917","0.0019","84.65","0.03","74.43","0.03","66.85","0.03","573.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C26 H20 Br2 N2 O4 -","2","1","","Hamilton, Chris J.; Fairlamb, Alan H.; Eggleston, Ian M.","Regiocontrolled synthesis of the macrocyclic polyamine alkaloid (±)-lunarine, a time-dependent inhibitor of trypanothione reductase","Journal of the Chemical Society, Perkin Transactions 1","2002","","8","1115","","10.1039/b110149h","","","0.71073","MoKα","","0.0527","0.0452","","","0.1156","0.1231","","","","","","1.046","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204317","9.159","0.002","16.895","0.001","13.252","0.001","90","","109.87","0.01","90","","1928.5","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Epoxynaphthalene-2,3-dicarboxylic acid, 1-(4-pyridyl)- 1,2,3,4-tetrahydro-6,7-dimethoxy-, dimethyl ester, (1beta, 2beta , 3beta , 4beta)-rel- (9CI)","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Sugahara, Masakatsu; Moritani, Yasunori; Kuroda, Tooru; Kondo, Kazuhiko; Ukita, Tatsuzo","Synthetic and mechanistic study of the acid-promoted aromatisation of the Diels‒Alder adduct: 6,7-dimethoxy-1-(4-pyridyl)-1,4-epoxytetrahydronaphthalene-2,3-dicarboxylate","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","768","","10.1039/b110265f","","","1.54178","CuKα","","0.0523","0.0462","","","0.1726","0.1786","","","","","","1.45","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204318","34.619","0.002","6.874","0.002","16.426","0.002","90","","98.73","0.01","90","","3863.6","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Epoxynaphthalene-2,3-dicarboxylic acid, 1-(4-pyridyl)- 1,2,3,4-tetrahydro-6,7-dimethoxy-, dimethyl ester, (1beta, 2alpha , 3alpha , 4beta)-rel- (9CI)","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C168 H168 N8 O56 -","8","1","","Sugahara, Masakatsu; Moritani, Yasunori; Kuroda, Tooru; Kondo, Kazuhiko; Ukita, Tatsuzo","Synthetic and mechanistic study of the acid-promoted aromatisation of the Diels‒Alder adduct: 6,7-dimethoxy-1-(4-pyridyl)-1,4-epoxytetrahydronaphthalene-2,3-dicarboxylate","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","768","","10.1039/b110265f","","","1.54178","CuKα","","0.0492","0.0448","","","0.174","0.1788","","","","","","1.539","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204319","8.529","0.002","13.759","0.001","16.822","0.001","90","","98.84","0.01","90","","1950.6","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Epoxynaphthalene-2,3-dicarboxylic acid, 1-(4-pyridyl)- 1,2,3,4-tetrahydro-6,7-dimethoxy-, dimethyl ester, (1beta, 2beta , 3alpha , 4beta)-rel- (9CI)","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Sugahara, Masakatsu; Moritani, Yasunori; Kuroda, Tooru; Kondo, Kazuhiko; Ukita, Tatsuzo","Synthetic and mechanistic study of the acid-promoted aromatisation of the Diels‒Alder adduct: 6,7-dimethoxy-1-(4-pyridyl)-1,4-epoxytetrahydronaphthalene-2,3-dicarboxylate","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","768","","10.1039/b110265f","","","1.54178","CuKα","","0.0564","0.0474","","","0.1634","0.1715","","","","","","1.317","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204320","10.839","0.001","11.534","0.001","15.677","0.001","90","","105.51","0.01","90","","1888.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Epoxynaphthalene-2,3-dicarboxylic acid, 1-(4-pyridyl)- 1,2,3,4-tetrahydro-6,7-dimethoxy-, dimethyl ester, (1beta, 2alpha , 3beta , 4beta)-rel- (9CI)","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Sugahara, Masakatsu; Moritani, Yasunori; Kuroda, Tooru; Kondo, Kazuhiko; Ukita, Tatsuzo","Synthetic and mechanistic study of the acid-promoted aromatisation of the Diels‒Alder adduct: 6,7-dimethoxy-1-(4-pyridyl)-1,4-epoxytetrahydronaphthalene-2,3-dicarboxylate","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","768","","10.1039/b110265f","","","1.54178","CuKα","","0.0423","0.0383","","","0.1363","0.1413","","","","","","1.185","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204331","9.975","0.002","11.266","0.002","19.208","0.004","90","","90","","90","","2158.6","0.7","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3,3-dimethyl-2-oxo-1-(oxomethylene)butyl)-2,6-di-tert-butyl- -5-methoxycarbonyl-1,3-dioxin-4(2H)-one","","- C21 H30 O7 -","- C21 H30 O7 -","- C84 H120 O28 -","4","1","","Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert","Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","599","","10.1039/b111143d","","","0.71069","MoKα","","0.042","0.0359","","","0.0809","0.085","","","","","","1.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204332","16.964","0.005","11.267","0.003","17.01","0.005","90","","117.62","0.02","90","","2880.7","1.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","R,S-2-(1-Isopropyl-4-(isopropylimino)-2-oxo-3-pivaloylazetidin -3-yl)-2,6-di-tert-butyl-5-methoxycarbonyl-1,3-dioxin-4(2H)-one","","- C28 H44 N2 O7 -","- C28 H44 N2 O7 -","- C112 H176 N8 O28 -","4","1","","Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert","Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","599","","10.1039/b111143d","","","0.71069","MoKα","","0.0939","0.0601","","","0.1118","0.1279","","","","","","1.084","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204333","9.885","0.003","16.338","0.005","17.537","0.005","90","","90","","90","","2832.2","1.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R,R-2-(1-Isopropyl-4-(isopropylimino)-2-oxo-3-pivaloylazetidin -3-yl)-2,6-di-tert-butyl-5-methoxycarbonyl-1,3-dioxin-4(2H)-one","","- C28 H44 N2 O7 -","- C28 H44 N2 O7 -","- C112 H176 N8 O28 -","4","1","","Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert","Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","599","","10.1039/b111143d","","","0.71069","MoKα","","0.0477","0.04","","","0.0861","0.0915","","","","","","1.042","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204334","7.147","0.001","6.349","0.001","11.384","0.001","90","","106.03","0.02","90","","496.48","0.12","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O5 -","- C7 H12 N4 O5 -","- C14 H24 N8 O10 -","2","1","","Daniel D. Long; Martin D. Smith; Angeles Martín; Joseph R. Wheatley; David G. Watkin; Mattaius Müller; George W. J. Fleet","Complex tetrahydrofurans from carbohydrate lactones: THF amino acids as building blocks for unnatural biopolymers","J. Chem. Soc., Perkin Trans. 1","2002","","17","1982","1998","10.1039/b111258a","","","1.5418","CuKα","","","0.0275","","","","0.023","","","","","","0.9856","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204335","18.382","0.002","8.655","0.001","27.054","0.004","90","","102.55","0.02","90","","4201.3","1","293","","293","","","","","","","","?","4","C 1 2 1","C 2y","5","","","","- C18 H34 N4 O5 -","- C18 H30 N4 O5 -","- C144 H240 N32 O40 -","8","2","","Daniel D. Long; Martin D. Smith; Angeles Martín; Joseph R. Wheatley; David G. Watkin; Mattaius Müller; George W. J. Fleet","Complex tetrahydrofurans from carbohydrate lactones: THF amino acids as building blocks for unnatural biopolymers","J. Chem. Soc., Perkin Trans. 1","2002","","17","1982","1998","10.1039/b111258a","","","1.5418","CuKα","","","0.0745","","","","0.0971","","","","","","0.9078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204343","10.156","0.002","13.194","0.002","33.401","0.007","90","","90","","90","","4475.7","1.5","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,4-bis-N'-{(R)-N-(a-methylbenzyl)acetamide}-1,4,7,10- tetraazacycldodecane diaqua europium(III) tris(trifrluoromethylsulfonate)","","- C31 H46 Eu F9 N6 O13 S3 -","- C31 H46 Eu F9 N6 O13 S3 -","- C124 H184 Eu4 F36 N24 O52 S12 -","4","1","","Batsanov, Andrei S.; Bruce, James I.; Ganesh, Thota; Low, Paul J.; Kataky, Ritu; Puschmann, Horst; Steel, Patrick G.","Synthesis, characterisation and application of lanthanide cyclen complexes in organic synthesis","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","932","","10.1039/b111628b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0622","0.0626","","","","","","1.149","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204344","10.143","0.001","13.171","0.002","33.28","0.004","90","","90","","90","","4446","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,4-bis-N'-{(R)-N-(a-methylbenzyl)acetamide}-1,4,7,10- tetraazacycldodecane diaqua samarium(III) tris(trifrluoromethylsulfonate)","","- C31 H46 F9 N6 O13 S3 Sm -","- C31 H46 F9 N6 O13 S3 Sm -","- C124 H184 F36 N24 O52 S12 Sm4 -","4","1","","Batsanov, Andrei S.; Bruce, James I.; Ganesh, Thota; Low, Paul J.; Kataky, Ritu; Puschmann, Horst; Steel, Patrick G.","Synthesis, characterisation and application of lanthanide cyclen complexes in organic synthesis","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","932","","10.1039/b111628b","","","0.71073","MoKα","","0.0418","0.0367","","","0.0664","0.0679","","","","","","1.169","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204346","14.4765","0.0018","11.1064","0.0009","14.5268","0.0018","90","","150.686","0.015","90","","1143.5","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","","Landreau, Cyrille; Deniaud, David; Evain, Michel; Reliquet, Alain; Meslin, Jean-Claude","Efficient regioselective synthesis of triheterocyclic compounds: imidazo[2,1-b]benzothiazoles, pyrimido[2,1-b]benzothiazolones and pyrimido[2,1-b]benzothiazoles","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","741","","10.1039/b111639h","","x-ray","0.71069","MoKα","","0.2261","0.0487","","","0.0681","0.1128","","","","0.99","0.99","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204347","16.975","0.002","5.1909","0.0006","8.569","0.001","90","","92.386","0.003","90","","754.41","0.15","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","","Di-(2,3-dideoxy-3-methoxycarbonyl-beta-D-erythro-pentofuranose)- 1,5':1',5-dianhydride","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","0.5","","Muldgaard, Lene; Thomsen, Ib B.; Hazell, Rita G.; Bols, Mikael","Investigation of the base promoted tandem syn-elimination‒Favorskii rearrangement of levoglucosan sulfonates","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1297","","10.1039/b200064b","","","0.71073","MoKα","","","0.078","","","","0.1","","","","","","1.72","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204348","9.4619","0.0011","9.8687","0.0012","10.133","0.0012","100.097","0.002","99.529","0.002","91.423","0.002","917.26","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C38 H46 N2 O6 S2 -","2","1","","Hou, Xue-Long; Luo, Yu-Mei; Yuan, Ke; Dai, Li-Xin","Reaction of α-carbanion of imines with N-tosylimines: a facile route to β-aminoaldehydes and 1,3-diamines","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1487","","10.1039/b200198e","","","0.71073","MoKα","","0.1172","0.0406","","","0.0507","0.061","","","","","","0.646","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204349","12.0964","0.0014","13.5239","0.0015","16.1906","0.0019","90","","90","","90","","2648.6","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H20 Br2 Cl2 O2 -","- C31 H20 Br2 Cl2 O2 -","- C124 H80 Br8 Cl8 O8 -","4","1","","Tanaka, Koichi; Harada, Naoyuki","A novel spiroketalization reaction of 1,7-dihydroxyhepta-2,5-diyn-4-ones","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","713","","10.1039/b200215a","","","0.71073","MoKα","","0.0276","0.0215","","","0.0327","0.0332","","","","","","0.79","","","","has coordinates","275180","2022-05-07","01:18:17",""
"7204350","10.072","0.002","25.978","0.003","9.617","0.002","90","","90","","90","","2516.3","0.8","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Sn -","- C27 H42 Sn -","- C108 H168 Sn4 -","4","1","","Helliwell, Madeleine; Thomas, Eric J.; Townsend, Linda A.","Synthesis of chiral organotin reagents: synthesis of enantiomerically enriched bicyclo[2.2.1]hept-2-yl tin hydrides from camphor. X-Ray crystal structures of (dimethyl)[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]tin chloride and methyl(phenyl)bis[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]stannane","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1286","","10.1039/b200317c","","","1.5418","CuKα","","0.0472","0.0358","","0.0292","0.0282","","","","2.086","2.149","2.149","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7204351","6.696","0.007","10.816","0.008","9.659","0.007","90","","93.54","0.07","90","","698.2","1","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23 Cl Sn -","- C12 H23 Cl Sn -","- C24 H46 Cl2 Sn2 -","2","1","","Helliwell, Madeleine; Thomas, Eric J.; Townsend, Linda A.","Synthesis of chiral organotin reagents: synthesis of enantiomerically enriched bicyclo[2.2.1]hept-2-yl tin hydrides from camphor. X-Ray crystal structures of (dimethyl)[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]tin chloride and methyl(phenyl)bis[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]stannane","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1286","","10.1039/b200317c","","","0.7107","MoKα","","0.1071","0.0714","","0.0435","0.0423","","","","2.607","2.97","2.97","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7204352","6.949","0.002","14.011","0.004","12.055","0.003","90","","93.6","0.02","90","","1171.4","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","2","","Davison, Edwin C.; Fox, Martin E.; Holmes, Andrew B.; Roughley, Stephen D.; Smith, Catherine J.; Williams, Geoffrey M.; Davies, John E.; Raithby, Paul R.; Adams, Joseph P.; Forbes, Ian T.; Press, Neil J.; Thompson, Mervyn J.","Nitrone dipolar cycloaddition routes to piperidines and indolizidines. Part 9. Formal synthesis of (‒)-pinidine and total synthesis of (‒)-histrionicotoxin, (+)-histrionicotoxin and (‒)-histrionicotoxin 235A","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1494","1514","10.1039/b200328g","","","0.71073","MoKα","","0.0719","0.0647","","","0.1493","0.1552","","","","","","1.273","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204355","5.1675","0.0002","10.5383","0.0006","16.2748","0.0009","90","","98.367","0.002","90","","876.84","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O8 -","- C21 H18 O8 -","- C42 H36 O16 -","2","1","","Tero Kunnari; Karel D. Klika; Gloria Blanco; Carmen Méndez; Pekka Mäntsälä; Juha Hakala; Reijo Sillanpää; Petri Tähtinen; Jose Salas; Kristiina Ylihonko","Hybrid compounds generated by the introduction of a nogalamycin-producing plasmid into Streptomyces argillaceus","J. Chem. Soc., Perkin Trans. 1","2002","","15","1818","1825","10.1039/b200444p","","x-ray","0.71073","MoKα","","0.1416","0.0711","","","0.1098","0.1324","","","","","","1.064","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204358","6.436","0.001","10.547","0.002","8.763","0.002","90","","105.899","0.003","90","","572.08","0.19","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5S)-1-N-Acetyl-4,5-isopropylidene-3-methyl-hexahydropyridazine","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C20 H36 N4 O6 -","2","1","","Jensen, Henrik H.; Jensen, Astrid; Hazell, Rita G.; Bols, Mikael","Synthesis and investigation of L-fuco- and D-glucurono-azafagomine","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1190","","10.1039/b200884j","","","0.71073","MoKα","","","0.039","","","","0.046","","","","","","1.37","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7204371","10.759","0.006","10.339","0.006","22.581","0.007","90","","103.56","0.04","90","","2442","2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 N O3 P -","- C28 H26 N O3 P -","- C112 H104 N4 O12 P4 -","4","2","","Feeder, Neil; Fox, David J.; Medlock, Jonathan A.; Warren, Stuart","Synthesis, X-ray crystal structures and Horner‒Wittig addition reactions of some protected β-aminophosphine oxides","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1175","","10.1039/b201680j","","","1.54178","CuKα","","0.1188","0.0619","","","0.1308","0.1543","","","","","","1.031","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204372","15.1746","0.0007","10.3826","0.0005","17.345","0.0009","90","","93.82","0.003","90","","2726.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N O3 P -","- C33 H34 N O3 P -","- C132 H136 N4 O12 P4 -","4","1","","Feeder, Neil; Fox, David J.; Medlock, Jonathan A.; Warren, Stuart","Synthesis, X-ray crystal structures and Horner‒Wittig addition reactions of some protected β-aminophosphine oxides","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1175","","10.1039/b201680j","","","0.71069","MoKα","","0.0764","0.0454","","0.1451","0.1083","","","","1.041","1.094","1.094","","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204375","7.9977","0.0016","14.986","0.003","27.776","0.006","90","","95.75","0.03","90","","3312.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 I N5 S2 -","- C34 H30 Cl2 I N5 S2 -","- C136 H120 Cl8 I4 N20 S8 -","4","1","","Bell, Norman A.; Crouch, David J.; High, Lawrence R. H.; Simmonds, Derek J.; Coles, Simon J.; Hursthouse, Michael B.","Distorted electron acceptors: an unexpected reaction involving tetramethyl-TCNQ","Journal of the Chemical Society, Perkin Transactions 1","2002","","9","1171","","10.1039/b201862b","","","0.71073","MoKα","","0.0734","0.0538","","","0.1419","0.1526","","","","","","1.031","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204380","8.5854","0.0007","8.3775","0.0007","12.428","0.001","90","","103.395","0.009","90","","869.56","0.13","253","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Benningshof, Jorg C. J.; Blaauw, Richard H.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Rutjes, Floris P. J. T.; Hiemstra, Henk","Studies towards the total synthesis of solanoeclepin A: synthesis of the 7-oxabicyclo[2.2.1]heptane moiety and attempted seven-membered ring formation","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1693","","10.1039/b201987f","","","1.5418","MoKα","","0.066","0.06","","0.07","","0.068","","","0.989","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204381","14.412","0.003","9.096","0.002","14.908","0.003","90","","117.43","0.03","90","","1734.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H24 Cl4 O9 S -","- C34 H22 Cl4 O9 S -","- C68 H44 Cl8 O18 S2 -","2","1","","Cai, Yudong; Roberts, Brian P.; Tocher, Derek A.","Carbohydrate-derived thiols as protic polarity-reversal catalysts for enantioselective radical-chain reactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","11","1376","","10.1039/b202022j","","","0.71073","MoKα","","0.0628","0.049","","0.141","0.1232","","","","1.015","1.02","1.02","","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204383","5.9474","0.0003","10.228","0.0006","10.9852","0.0007","90","","90","","90","","668.23","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Cl3 N S2 -","- C2 Cl3 N S2 -","- C8 Cl12 N4 S8 -","4","1","","Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.","Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1535","","10.1039/b202211g","","","1.54178","CuKα","","0.0334","0.029","","0.0726","0.0683","","","","1.082","1.094","1.094","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204384","10.947","0.003","6.065","0.002","14.001","0.004","90","","90.48","0.02","90","","929.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 Cl N5 S3 -","- C5 Cl N5 S3 -","- C20 Cl4 N20 S12 -","4","1","","Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.","Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1535","","10.1039/b202211g","","","0.71073","MoKα","","0.0354","0.0288","","0.0806","0.0755","","","","1.059","1.085","1.085","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204385","21.14","0.005","6.7242","0.0015","10.004","0.003","90","","103.22","0.02","90","","1384.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.5 H Cl4 N5 S4 -","- C5.5 H Cl4 N5 S4 -","- C22 H4 Cl16 N20 S16 -","4","0.5","","Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.","Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1535","","10.1039/b202211g","","","0.71073","MoKα","","0.0594","0.0417","","0.1202","0.106","","","","1.084","1.128","1.128","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204386","8.314","0.002","9.068","0.003","9.915","0.003","112.17","0.02","97.07","0.02","100.08","0.02","666.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl N3 O2 S4 -","- C8 H6 Cl N3 O2 S4 -","- C16 H12 Cl2 N6 O4 S8 -","2","1","","Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.","Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1535","","10.1039/b202211g","","","1.54178","CuKα","","0.0439","0.0382","","0.1153","0.1017","","","","1.039","1.06","1.06","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204396","11.5114","0.0009","10.7109","0.0009","12.4297","0.001","90","","100.909","0.001","90","","1504.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O5 S -","- C33 H42 N2 O5 S -","- C66 H84 N4 O10 S2 -","2","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.08","0.0748","","","0.211","0.2177","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204397","10.1128","0.0013","12.9983","0.0016","18.399","0.002","90","","90","","90","","2418.5","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N4 O4 S -","- C24 H34 N4 O4 S -","- C96 H136 N16 O16 S4 -","4","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.0772","0.0426","","","0.0865","0.0949","","","","","","0.842","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204398","10.0165","0.0015","12.3521","0.0015","10.5145","0.0016","90","","115.807","0.016","90","","1171.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N3 O5 S -","- C22 H33 N3 O5 S -","- C44 H66 N6 O10 S2 -","2","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.0518","0.037","","","0.0826","0.0871","","","","","","0.915","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204403","19.913","0.004","5.138","0.001","22.413","0.004","90","","90.92","0.03","90","","2292.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 F3 O3 S -","- C10 H9 F3 O3 S -","- C80 H72 F24 O24 S8 -","8","1","","Krasovsky, Arkady L.; Pissarev, Serge A.; Nenajdenko, Valentine G.; Balenkova, Elizabeth S.","??-Trifluoroacetylvinyl phenyl sulfoxide???synthesis, Diels???Alder reaction and computational study","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2554","","10.1039/b202583c","","","0.71073","MoKα","","0.0318","0.0318","","","0.089","0.089","","","","","","1.105","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204404","13.536","0.002","7.787","0.001","14.769","0.002","90","","97.62","0.01","90","","1543","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 Cl3 N2 O3 -","- C14 H11 Cl3 N2 O3 -","- C56 H44 Cl12 N8 O12 -","4","1","","Sam, Najat; Elkadiri, Sghir; Bozec, Hubert Le; Toupet, Loic; Daoudi, Maria; Bitit, Najib; Hadda, Taibi Ben; Dixneuf, Pierre H.","Novel trichloroindolizine derivatives via intramolecular acylation of a bis(chloroacyl)bipyridine","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1688","","10.1039/b202616n","","","0.71069","MoKα","","0.0937","0.0569","","","0.1525","0.1699","","","","","","1.094","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204414","21.492","0.001","8.0545","0.0004","15.4024","0.0009","90","0.5","96.1","0.8","90","0.6","2651","4","183.2","","183.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 O P -","- C36 H27 O P -","- C144 H108 O4 P4 -","4","1","","Thiemann, Thies; Umeno, Kuniharu; Wang, Jian; Tabuchi, Yumiko; Arima, Kazuya; Watanabe, Masataka; Tanaka, Yasuko; Gorohmaru, Hideki; Mataka, Shuntaro","Elongated phosphoranes by C???C coupling of haloaroylmethylidenetriphenylphosphoranes: synthesis and applications","Journal of the Chemical Society, Perkin Transactions 1","2002","","18","2090","","10.1039/b202745n","","","0.7107","MoKα","","0.1411","0.0694","","","0.1643","0.2004","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204415","13.582","0.007","11.418","0.006","11.111","0.007","90","","105.71","0.06","90","","1658.7","1.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Armstrong, Alan; Critchley, Trevor J.; Gourdel-Martin, Marie-Edith; Kelsey, Richard D.; Mortlock, Andrew A.","Synthetic studies on CP-225,917 and CP-263,114: concise synthesis of the bicyclic core using an intramolecular Mukaiyama aldol reactionElectronic supplementary information (ESI) available: crystal data for 13a. See http://www.rsc.org/suppdata/p1/b2/b202752f/","Journal of the Chemical Society, Perkin Transactions 1","2002","","11","1344","","10.1039/b202752f","","","0.71073","MoKα","","0.11","0.0638","","","0.11","0.139","","","","","","1.18","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7204422","17.923","0.005","14.449","0.002","4.086","0.001","90","","90","","90","","1058.1","0.4","289","2","289","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H6 N6 S -","- C10 H6 N6 S -","- C40 H24 N24 S4 -","4","0.5","","Volkova, Natalya N.; Tarasov, Evgeniy V.; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim; Bakulev, Vasiliy A.","Reaction of 5-halo-1,2,3-thiadiazoles with arylenediamines as a new approach to tricyclic 1,3,6-thiadiazepines","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1574","","10.1039/b203072a","","","0.71073","MoKα","","0.041","0.0339","","","0.088","0.0954","","","","","","1.113","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204427","9.8982","0.0003","10.007","0.0003","13.947","0.0003","102.747","0.003","104.027","0.003","103.336","0.003","1246.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 S2 Se2 -","- C16 H12 N2 S2 Se2 -","- C48 H36 N6 S6 Se6 -","3","1.5","","Zdenko Časar; Ivan Leban; Alenka Majcen-Le Maréchal; Dominique Lorcy","Synthesis of diselenadiazafulvalenes and influence of steric strain on their anodic behavior","J. Chem. Soc., Perkin Trans. 1","2002","","13","1568","1573","10.1039/b203317h","","","0.71073","MoKα","","0.0584","0.0475","","","0.1243","0.1387","","","","","","1.052","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204428","16.3534","0.0004","5.382","0.0002","19.3559","0.0006","90","","110.524","0.0014","90","","1595.46","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 S2 Se2 -","- C16 H12 N2 S2 Se2 -","- C64 H48 N8 S8 Se8 -","4","1","","Zdenko Časar; Ivan Leban; Alenka Majcen-Le Maréchal; Dominique Lorcy","Synthesis of diselenadiazafulvalenes and influence of steric strain on their anodic behavior","J. Chem. Soc., Perkin Trans. 1","2002","","13","1568","1573","10.1039/b203317h","","","0.71073","MoKα","","0.0534","0.0345","","","0.0785","0.0863","","","","","","1.032","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204429","7.4742","0.001","14.29","0.003","14.776","0.003","62.376","0.011","77.377","0.019","79.801","0.012","1359.2","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","[26,27 ^2^H~6~] 24-epicathasteron","[26,27-^2^H~6~] (22S,24S)-3β,22-dihydroxy-5α-ergostan-6-one","","- C28 H44 D6 O4 -","- C28 H44 D6 O4 -","- C56 H88 D12 O8 -","2","2","","Adelheid Kolbe; Petra Fuchs; Andrea Porzel; Ute Baumeister; Alfred Kolbe; Günter Adam","Synthesis and crystal structure of [26,27-2H6] 24-epi-cathasterone","J. Chem. Soc., Perkin Trans. 1","2002","","17","2022","2027","10.1039/b203323b","","","0.71073","MoKα","","0.2502","0.0723","","","0.0985","0.1521","","","","","","1.018","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204430","8.3846","0.0004","27.9562","0.0017","7.1987","0.0004","90","","107.629","0.003","90","","1608.14","0.16","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Baxendale, Ian R.; Lee, Ai-Lan; Ley, Steven V.","A concise synthesis of carpanone using solid-supported reagents and scavengers","Journal of the Chemical Society, Perkin Transactions 1","2002","","16","1850","","10.1039/b203388g","","","0.71073","MoKα","","0.0631","0.0406","","","0.0873","0.0962","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204432","9.1439","0.0011","11.6771","0.0015","15.438","0.002","90","","90","","90","","1648.4","0.4","123","1","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 Si -","- C14 H25 N O3 Si -","- C56 H100 N4 O12 Si4 -","4","1","","Timothy J. Donohoe; Andrew A. Calabrese; Jean-Baptiste Guillermin; Daryl Walter","Partial reduction of 3-heteroatom substituted 2-furoic acids: the role of an ortho group in viability and stereoselectivity","J. Chem. Soc., Perkin Trans. 1","2002","","15","1748","1756","10.1039/b203437a","","","0.71073","MoKα","","0.0365","0.0335","","","0.0931","0.0952","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204433","10.483","0.003","10.019","0.002","13.104","0.004","90","","90.12","0.02","90","","1376.3","0.6","295","","295","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","19b","","","- C26 H41 N O4 -","- C26 H41 N O4 -","- C52 H82 N2 O8 -","2","1","","Oishi, Shinya; Niida, Ayumu; Kamano, Takae; Miwa, Yoshihisa; Taga, Tooru; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Yamamoto, Mikio; Ajito, Keiichi; Tamamura, Hirokazu; Otaka, Akira; Fujii, Nobutaka","Regio- and stereoselective ring-opening of chiral 1,3-oxazolidin-2-one derivatives by organocopper reagents provides novel access to di-, tri- and tetra-substituted alkene dipeptide isosteresElectronic supplementary information (ESI) available: synthetic procedures and characterization for 4a,b, 5a,b, 7b, 8a,b, 9a,b, 10b, 11a,b, 12b,c, 13b, 14a,b, 15, 16a,b, 17a,b, 18, 19b, 20b. See http://www.rsc.org/suppdata/p1/b2/b203482d/","Journal of the Chemical Society, Perkin Transactions 1","2002","","15","1786","","10.1039/b203482d","","","1.54051","CU","","","0.061","","","0.077","","","","","1.15","1.15","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204435","8.277","0.006","18.29","0.06","12.121","0.01","90","","106.71","0.07","90","","1757","6","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N2 O4 -","- C44 H44 N2 O4 -","- C88 H88 N4 O8 -","2","0.5","","Yagi, Shigeyuki; Murayama, Shin; Hyodo, Yutaka; Fujie, Yoshihiko; Hirose, Msahiko; Nakazumi, Hiroyuki","Synthesis and light absorption/emission properties of novel bis-squaraine dyes with extensively conjugated π-electron systems","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1417","","10.1039/b203793a","","","0.7107","MoKα","","","0.0579","","","","0.1731","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204436","43.767","0.008","5.8471","0.001","22.777","0.005","90","","113.782","0.013","90","","5333.9","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N3 O7 S -","- C30 H25 N3 O7 S -","- C240 H200 N24 O56 S8 -","8","1","","Brown, David; Brown, Giles A.; Andrews, Mark; Large, Jonathan M.; Urban, Dominique; Butts, Craig P.; Hales, Neil J.; Gallagher, Timothy","The azomethine ylide strategy for β-lactam synthesis. Azapenams and 1-azacephams","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","2014","2021","10.1039/b203890k","","","0.71073","MoKα","","0.1021","0.0491","","0.1185","","0.0992","","","1.009","","","1.115","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204437","8.0069","0.0013","11.908","0.002","12.814","0.002","65.448","0.002","80.677","0.003","79.668","0.003","1088","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl2 N3 O7 -","- C22 H17 Cl2 N3 O7 -","- C44 H34 Cl4 N6 O14 -","2","1","","Brown, David; Brown, Giles A.; Andrews, Mark; Large, Jonathan M.; Urban, Dominique; Butts, Craig P.; Hales, Neil J.; Gallagher, Timothy","The azomethine ylide strategy for β-lactam synthesis. Azapenams and 1-azacephams","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","2014","2021","10.1039/b203890k","","","0.71073","MoKα","","0.061","0.0382","","0.1042","","0.0986","","","0.948","","","1.103","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204445","12.0236","0.0005","6.5832","0.0004","18.8618","0.0008","90","","99.721","0.003","90","","1471.55","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F2 N O2 -","- C18 H15 F2 N O2 -","- C72 H60 F8 N4 O8 -","4","1","","Novikov, Mikhail S.; Voznyi, Igor V.; Khlebnikov, Alexander F.; Kopf, Jürgen; Kostikov, Rafael R.","Unprecedented 1,3-dipolar cycloaddition of azomethine ylides to ester carbonyl","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1628","","10.1039/b204464a","","","0.71073","MoKα","","0.0448","0.0395","","","0.1051","0.1083","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204449","8.288","0.001","10.86","0.002","19.172","0.004","90","","90","","90","","1725.6","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Lu, Jun; Xu, Xuenong; Wang, Shaozhong; Wang, Cunde; Hu, Yuefei; Hu, Hongwen","Novel preparation of non-racemic 1-[??-(1-azacycloalkyl)benzyl]-2-naphthols from Betti base and their application as chiral ligands in the asymmetric addition of diethylzinc to aryl aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2900","","10.1039/b204534f","","","0.71073","MoKα","","0.0782","0.0332","","","0.0839","0.1008","","","","","","1.038","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204450","9.813","0.004","10.354","0.003","16.491","0.004","90","","90","","90","","1675.5","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Lu, Jun; Xu, Xuenong; Wang, Shaozhong; Wang, Cunde; Hu, Yuefei; Hu, Hongwen","Novel preparation of non-racemic 1-[??-(1-azacycloalkyl)benzyl]-2-naphthols from Betti base and their application as chiral ligands in the asymmetric addition of diethylzinc to aryl aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2900","","10.1039/b204534f","","","0.71073","MoKα","","0.0788","0.0334","","","0.0827","0.0997","","","","","","1.043","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204451","11.4818","0.0013","12.894","0.003","17.1468","0.0018","90","","90","","90","","2538.5","0.7","293","","293","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Steven D. Bull; Stephen G. Davies; David J. Fox; Massimo Gianotti; Peter M. Kelly; Camille Pierres; Edward D. Savory; Andrew D. Smith","Asymmetric synthesis of β-pyridyl-β-amino acid derivatives","J. Chem. Soc., Perkin Trans. 1","2002","","16","1858","1868","10.1039/b204653a","","","1.5418","CuKα","","","0.0427","","","","0.0437","","","","","","1.1288","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204452","10.5644","0.0002","12.7699","0.0003","17.3731","0.0004","90","","90","","90","","2343.74","0.09","190","","190","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Cl N2 O5 -","- C23 H31 Cl N2 O5 -","- C92 H124 Cl4 N8 O20 -","4","1","","Steven D. Bull; Stephen G. Davies; David J. Fox; Massimo Gianotti; Peter M. Kelly; Camille Pierres; Edward D. Savory; Andrew D. Smith","Asymmetric synthesis of β-pyridyl-β-amino acid derivatives","J. Chem. Soc., Perkin Trans. 1","2002","","16","1858","1868","10.1039/b204653a","","","0.71073","MoKα","","","0.0381","","","","0.0382","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204453","12.82","0.01","6.658","0.006","14.427","0.012","90","","97.78","0.06","90","","1220.1","1.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(triphenylstannyl)-alpha- D-xylofuranose","","- C26 H28 O4 Sn -","- C26 H28 O4 Sn -","- C52 H56 O8 Sn2 -","2","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0889","0.0679","","","0.1513","0.1659","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204454","9.566","0.014","10.366","0.01","12.983","0.019","104.99","0.09","111.71","0.11","65.14","0.09","1077","3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-D -xylofuranose","","- C20 H23 I O4 Sn -","- C20 H23 I O4 Sn -","- C40 H46 I2 O8 Sn2 -","2","2","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0517","0.0459","","","0.1127","0.1173","","","","","","1.059","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204455","9.445","0.0003","10.2372","0.0003","12.8723","0.0006","105.124","0.0012","111.398","0.0012","65.334","0.003","1044.38","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-L- xylofuranose","","- C20 H23 I O4 Sn -","- C20 H23 I O4 Sn -","- C40 H46 I2 O8 Sn2 -","2","2","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0834","0.0468","","","0.1003","0.1163","","","","","","1.01","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204456","23.904","0.009","10.824","0.004","7.954","0.006","90","","90","","90","","2058","1.9","108","2","108","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","5-deoxy-5-C-diiodophenylstannyl-1,2-O-isopropylidene-alpha-D- xylofuranose chloroform solvate","","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C58 H74 Cl6 I8 O16 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0418","0.0395","","","0.0968","0.0977","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204457","24.2808","0.0015","10.8472","0.0007","8.0682","0.0005","90","","90","","90","","2125","0.2","301","2","301","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","5-deoxy-5-C-(diiodophenylstannyl)-1,2-O-isopropylidene-alpha-L- xylofuranose chloroform solvate","","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C58 H74 Cl6 I8 O16 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0251","0.0237","","","0.0565","0.057","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204458","6.07","0.004","13.074","0.012","37.69","0.03","90","","90","","90","","2991","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-C-(Triphenylstannyl)methyl-1,2:5,6-di-O-isopropylidene-alpha-D- allofuranose","","- C31 H36 O6 Sn -","- C31 H36 O6 Sn -","- C124 H144 O24 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.1312","0.056","","","0.094","0.1116","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204459","10.245","0.008","10.338","0.008","15.97","0.012","79.037","0.013","88.444","0.013","65.605","0.011","1510","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 Cl2 N3 O4 S2 -","- C29 H37 Cl2 N3 O4 S2 -","- C58 H74 Cl4 N6 O8 S4 -","2","1","","Chong, Hyun-soon; Ganguly, Bishwajit; Broker, Grant A.; Rogers, Robin D.; Brechbiel, Martin W.","Stereoselective and regioselective synthesis of azepane and azepine derivatives via piperidine ring expansion","Journal of the Chemical Society, Perkin Transactions 1","2002","","18","2080","","10.1039/b204677f","","","0.71073","MoKα","","0.0466","0.0412","","","0.1063","0.1096","","","","","","1.022","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204461","6.3138","0.0003","7.7287","0.0003","24.059","0.0012","90","","90.762","0.002","90","","1173.91","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diisopropylamino)-3,4-epoxy-1-oxophospholane","","- C10 H20 N O2 P -","- C10 H20 N O2 P -","- C40 H80 N4 O8 P4 -","4","1","","Conway, Stuart J.; Miller, Jacqueline C.; Bond, Andrew D.; Clark, Barry P.; Jane, David E.","Synthesis and biological evaluation of phospholane and dihydrophosphole analogues of the glutamate receptor agonist AP4Electronic supplementry information (ESI) available: mode of epoxide ring-opening and experimental data for 2 and 3. See http://www.rsc.org/suppdata/p1/b2/b204891d/","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1625","","10.1039/b204891d","","","0.7107","MoKα","","0.0701","0.0428","","","0.1037","0.1128","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204465","10.657","0.004","10.894","0.003","10.362","0.003","90","","90","","90","","1203","0.7","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O5 -","- C11 H13 N3 O5 -","- C44 H52 N12 O20 -","4","1","","Minakawa, Noriaki; Kaga, Daisuke; Kato, Yuka; Endo, Kanji; Tanaka, Motohiro; Sasaki, Takuma; Matsuda, Akira","Synthesis and structural elucidation of 1-(3-C-ethynyl-4-thio-β-D-ribofuranosyl)cytosine (4'-thioECyd)","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2182","2189","10.1039/b204993g","","","1.5418","CuKα","","","0.0477","","","","0.0816","","","","","","1.948","","","","has coordinates","275181","2022-05-07","01:22:15",""
"7204466","10.887","0.003","10.892","0.003","10.385","0.003","90","","90","","90","","1231.5","0.6","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Minakawa, Noriaki; Kaga, Daisuke; Kato, Yuka; Endo, Kanji; Tanaka, Motohiro; Sasaki, Takuma; Matsuda, Akira","Synthesis and structural elucidation of 1-(3-C-ethynyl-4-thio-β-D-ribofuranosyl)cytosine (4'-thioECyd)","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2182","2189","10.1039/b204993g","","","0.7107","MoKα","","","0.0824","","","","0.044","","","","","","2.591","","","","has coordinates","275181","2022-05-07","01:22:16",""
"7204467","8.877","0.002","5.852","0.001","19.624","0.004","90","","101.84","0.03","90","","997.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O S -","- C8 H13 N3 O S -","- C32 H52 N12 O4 S4 -","4","1","","Joanna Szczepkowska-Sztolcman; Andrzej Katrusiak; Hanna Wójtowicz-Rajchel; Krzysztof Golankiewicz","Reactions of π-electron rich 1,2,4-triazines with organolithium nucleophiles","J. Chem. Soc., Perkin Trans. 1","2002","","22","2549","2553","10.1039/b205058g","","","0.71073","MoKα","","0.1577","0.0665","","","0.1158","0.1414","","","","","","1.389","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204468","20.708","0.003","6.964","0.001","12.305","0.002","90","","117.01","0.03","90","","1581","0.6","90","1","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-phenyl-1,2,4-triazin-3-one","","- C9 H7 N3 O -","- C9 H7 N3 O -","- C72 H56 N24 O8 -","8","1","","Joanna Szczepkowska-Sztolcman; Andrzej Katrusiak; Hanna Wójtowicz-Rajchel; Krzysztof Golankiewicz","Reactions of π-electron rich 1,2,4-triazines with organolithium nucleophiles","J. Chem. Soc., Perkin Trans. 1","2002","","22","2549","2553","10.1039/b205058g","","","0.71073","MoKα","","0.0799","0.0472","","","0.0632","0.0679","","","","","","1.47","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204471","7.188","0.002","9.088","0.002","10.682","0.002","88.99","0.02","100.84","0.02","91.56","0.01","685","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 F3 N5 -","- C13 H12 F3 N5 -","- C26 H24 F6 N10 -","2","1","","Taher, Abutariq; Eichenseher, Sandra; Slawin, Alexandra M. Z.; Tennant, George; Weaver, George W.","Synthesis of 2-aryl-2H,4H-imidazo[4,5-d][1,2,3]triazoles from triethyl N-(1-ethyl-2-methyl-4-nitro-1H-imidazol-5-yl)phosphorimidate by reaction with aryl isocyanates","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1968","","10.1039/b205216b","","","1.54178","CuKα","","0.0739","0.0517","","","0.1489","0.1656","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204472","9.2804","0.0002","11.4196","0.0003","16.8509","0.0004","90","","104.152","0.001","90","","1731.63","0.07","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl4 F12 N2 O6 Sr -","- C22 H36 Cl4 F12 N2 O6 Sr -","- C44 H72 Cl8 F24 N4 O12 Sr2 -","2","0.5","","Taher, Abutariq; Eichenseher, Sandra; Slawin, Alexandra M. Z.; Tennant, George; Weaver, George W.","Synthesis of 2-aryl-2H,4H-imidazo[4,5-d][1,2,3]triazoles from triethyl N-(1-ethyl-2-methyl-4-nitro-1H-imidazol-5-yl)phosphorimidate by reaction with aryl isocyanates","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1968","","10.1039/b205216b","","","0.71073","MoKα","","0.0411","0.0343","","0.076","0.0734","","","","1.074","1.099","1.099","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204473","7.218","0.002","7.852","0.002","21.449","0.006","90","","93.011","0.004","90","","1214","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N2 O6 -","- C26 H38 N2 O6 -","- C52 H76 N4 O12 -","2","0.5","","Gunnlaugsson, Thorfinnur; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Leonard, Joseph P.","Synthesis of functionalised macrocyclic compounds as Na+ and K+ receptors: a mild and high yielding nitration in water of mono and bis 2-methoxyaniline functionalised crown ethers","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1954","","10.1039/b205299g","","","0.71073","MoKα","","0.1098","0.0483","","","0.0886","0.1052","","","","","","0.837","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204474","11.908","0.003","12.219","0.003","12.268","0.003","86.206","0.003","70.91","0.003","64.19","0.003","1512.5","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 F6 K N2 O6 P -","- C26 H38 F6 K N2 O6 P -","- C52 H76 F12 K2 N4 O12 P2 -","2","1","","Gunnlaugsson, Thorfinnur; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Leonard, Joseph P.","Synthesis of functionalised macrocyclic compounds as Na+ and K+ receptors: a mild and high yielding nitration in water of mono and bis 2-methoxyaniline functionalised crown ethers","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1954","","10.1039/b205299g","","","0.71073","MoKα","","0.1238","0.0593","","","0.1488","0.1924","","","","","","0.921","","","","has coordinates,has disorder","180375","2020-10-21","18:00:00",""
"7204475","7.4201","0.0017","8.1588","0.0019","11.055","0.003","99.13","0.003","100.381","0.003","93.595","0.003","647.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N4 O10 -","- C26 H36 N4 O10 -","- C26 H36 N4 O10 -","1","0.5","","Gunnlaugsson, Thorfinnur; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Leonard, Joseph P.","Synthesis of functionalised macrocyclic compounds as Na+ and K+ receptors: a mild and high yielding nitration in water of mono and bis 2-methoxyaniline functionalised crown ethers","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1954","","10.1039/b205299g","","","0.71073","MoKα","","0.0595","0.046","","","0.1181","0.1317","","","","","","1.027","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204476","8.696","0.003","8.943","0.004","12.098","0.005","83.932","0.006","71.217","0.006","76.937","0.006","867.1","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 N2 O7 -","- C17 H26 N2 O7 -","- C34 H52 N4 O14 -","2","1","","Gunnlaugsson, Thorfinnur; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Leonard, Joseph P.","Synthesis of functionalised macrocyclic compounds as Na+ and K+ receptors: a mild and high yielding nitration in water of mono and bis 2-methoxyaniline functionalised crown ethers","Journal of the Chemical Society, Perkin Transactions 1","2002","","17","1954","","10.1039/b205299g","","","0.71073","MoKα","","0.1572","0.064","","","0.1458","0.1939","","","","","","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204483","11.2695","0.0007","17.0311","0.0008","10.3072","0.0006","90","","90","","90","","1978.28","0.19","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Fe O7 -","- C23 H16 Fe O7 -","- C92 H64 Fe4 O28 -","4","1","","Watanabe, Akiko; Kamahori, Takao; Aso, Mariko; Suemune, Hiroshi","Asymmetric synthesis of C2-symmetric 5,6-bis(benzyloxy)cyclohexa-1,3-diene and a tricarbonyliron complex","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2539","","10.1039/b205526k","","","0.7107","MoKα","","","0.028","","","","0.07","","","","","","0.787","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204484","12.995","0.0008","12.064","0.001","19.5348","0.0013","90","","90","","90","","3062.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","1","","Thomas Bark; Helen Stoeckli-Evans; Alexander von Zelewsky","New chiral pyrazine-based ligands for self-assembly reactions","J. Chem. Soc., Perkin Trans. 1","2002","","16","1881","1886","10.1039/b205563p","","","0.71073","MoKα","","0.1207","0.0348","","","0.0518","0.061","","","","","","0.752","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204485","9.5923","0.0008","10.1129","0.0008","10.9661","0.0009","112.886","0.002","94.278","0.002","117.285","0.002","828.42","0.12","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","","Christian Atherton, J. C.; Jones, Simon","Mechanistic investigations in diastereoselective Diels???Alder additions of chiral 9-anthrylethanol derivatives","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2166","","10.1039/b206523a","","","0.71073","MoKα","","0.065","0.0511","","","0.1068","0.112","","","","","","1.129","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204486","10.7625","0.0007","9.685","0.0006","16.7021","0.0011","90","","93.067","0.002","90","","1738.45","0.19","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Christian Atherton, J. C.; Jones, Simon","Mechanistic investigations in diastereoselective Diels???Alder additions of chiral 9-anthrylethanol derivatives","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2166","","10.1039/b206523a","","","0.71073","MoKα","","0.0769","0.0661","","","0.1459","0.1509","","","","","","1.204","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204488","9.2257","0.0012","6.1948","0.0008","9.5781","0.0012","90","","108.22","0.002","90","","519.96","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","1","","Ravindra Babu, B.; Prasad, Ashok K.; Trikha, Smriti; Thorup, Niels; Parmar, Virinder S.; Wengel, Jesper","Conformationally locked aryl C-nucleosides: synthesis of phosphoramidite monomers and incorporation into single-stranded DNA and LNA (locked nucleic acid)1","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2509","","10.1039/b206626b","","","0.71073","MoKα","","0.0405","0.0346","","","0.0823","0.0853","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204489","7.5515","0.0001","19.054","0.0001","25.3617","0.0002","90","","90","","90","","3649.2","0.06","123","2","123","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 Cl Hg N O5 S Si -","- C36 H50 Cl Hg N O5 S Si -","- C144 H200 Cl4 Hg4 N4 O20 S4 Si4 -","4","1","","Fraser, Benjamin; Perlmutter, Patrick","A nucleophilic addition ring closure [NARC]-based synthesis of (+) -nonactic acid","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2896","","10.1039/b206656d","","x-ray","0.71073","MoKα","","0.0242","0.0217","","","0.0444","0.045","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204493","8.0112","0.0008","9.758","0.001","23.019","0.002","90","","90","","90","","1799.5","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Bream, Robert N.; Ley, Steven V.; McDermott, Benjamin; Procopiou, Panayiotis A.","A mild, enantioselective synthesis of (R)-salmeterol via sodium borohydride???calcium chloride asymmetric reduction of a phenacyl phenylglycinol derivative","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2237","","10.1039/b207068p","","","0.71073","MoKα","","0.0684","0.0646","","","0.1225","0.1239","","","","","","1.291","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204495","13.6161","0.0018","14.295","0.002","16.52","0.002","90","","95.178","0.018","90","","3202.4","0.7","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 O -","- C45 H36 O -","- C180 H144 O4 -","4","1","","Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard","Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2673","","10.1039/b207108h","","","1.54184","CuKα","","0.072","0.0533","","","0.132","0.15","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204496","9.656","0.003","9.089","0.003","18.142","0.006","90","","91.24","0.02","90","","1591.8","0.9","160","2","160","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C42 H36 O5 -","- C42 H36 O5 -","- C84 H72 O10 -","2","0.5","","Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard","Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2673","","10.1039/b207108h","","","1.54184","CuKα","","0.0249","0.0245","","0.0646","0.0642","","","","1.027","1.027","1.027","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204497","9.8515","0.0011","8.988","0.001","17.9926","0.0019","90","","91.406","0.004","90","","1592.7","0.3","160","2","160","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C42 H37 N O4 -","- C42 H37 N O4 -","- C84 H74 N2 O8 -","2","0.5","","Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard","Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2673","","10.1039/b207108h","","","1.54184","CuKα","","0.039","0.0388","","","0.105","0.1051","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204498","10.162","0.004","12.856","0.005","13.729","0.005","74.83","0.03","71.95","0.02","85","0.02","1645.9","1.1","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O6 -","- C42 H38 O6 -","- C84 H76 O12 -","2","1","","Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard","Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2673","","10.1039/b207108h","","","0.71073","MoKα","","0.0614","0.0455","","0.1184","0.1057","","","","1.016","1.029","1.029","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204499","13.017","0.003","16.298","0.006","15.554","0.004","90","","110.699","0.018","90","","3086.8","1.6","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 O4 -","- C40 H34 O4 -","- C160 H136 O16 -","4","1","","Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard","Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2673","","10.1039/b207108h","","","1.54184","CuKα","","0.1856","0.084","","","0.206","0.2787","","","","","","1.023","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7204504","9.4034","0.0008","18.252","0.002","15.3571","0.0013","90","","103.981","0.002","90","","2557.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 N2 O3 Si -","- C24 H40 N2 O3 Si -","- C96 H160 N8 O12 Si4 -","4","1","","Anderson, James C.; Skerratt, Sarah","Synthesis of ??,??-disubstituted unnatural amino acid derivatives using the aza-[2,3]-Wittig sigmatropic rearrangement","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2871","","10.1039/b207295e","","","0.71073","MoKα","","0.1003","0.0447","","","0.1001","0.1209","","","","","","0.931","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204505","12.9645","0.001","7.7486","0.0006","23.421","0.002","90","","92.797","0.001","90","","2350","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[2-(dimethyl-phenyl-silanyl)-1-methyl-allyl]-5-isopropyl-3 -phenyl-imidazolidine-2,4-dione","","- C24 H30 N2 O2 Si -","- C24 H30 N2 O2 Si -","- C96 H120 N8 O8 Si4 -","4","1","","Anderson, James C.; Skerratt, Sarah","Synthesis of ??,??-disubstituted unnatural amino acid derivatives using the aza-[2,3]-Wittig sigmatropic rearrangement","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2871","","10.1039/b207295e","","","0.71073","MoKα","","0.0772","0.05","","","0.134","0.1493","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204506","7.4482","0.0001","10.8159","0.0002","29.5153","0.0004","90","","90","","90","","2377.72","0.06","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Christopher Garner, A.; O'Shea, Michael D.; Savory, Edward D.; Snow, Emma J.","Chiral glycine cation equivalents: N-acyliminium species derived from diketopiperazines","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2442","","10.1039/b207457p","","","0.71073","MoKα","","","0.0325","","","","0.0201","","","","","","1.0654","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204515","7.0991","0.0015","6.3581","0.0014","16.766","0.003","90","","90.415","0.005","90","","756.7","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E)-1-Fluoro-2-phenylseleno-cycloundecene","(E)-1-Fluoro-2-phenylseleno-cycloundecene","","- C17 H23 F Se -","- C17 H23 F Se -","- C34 H46 F2 Se2 -","2","1","","Poleschner, Helmut; Seppelt, Konrad","PhSeOTf???Et3N??3HF and PhSeSbF6???Et3N??3HF as new PhSe???F equivalents in the fluoroselenenylation of acetylenes","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2668","","10.1039/b207886b","","","0.71073","MoKα","","0.0676","0.0646","","","0.1738","0.1789","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204522","12.4385","0.0019","6.0956","0.0011","20.623","0.004","90","","102.514","0.013","90","","1526.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2851","","10.1039/b208544p","","","0.71069","MoKα","","0.0391","0.0354","","","0.0831","0.0846","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204523","10.537","0.002","11.71","0.004","12.259","0.002","117.58","0.02","99.77","0.01","99.9","0.02","1265.8","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","2","","Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2851","","10.1039/b208544p","","","0.71069","MoKα","","0.0395","0.0368","","","0.0886","0.0902","","","","","","1.121","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204524","12.524","0.002","11.088","0.003","12.935","0.002","90","","99.75","0.02","90","","1770.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2851","","10.1039/b208544p","","","0.71069","MoKα","","0.1254","0.0422","","","0.0859","0.1022","","","","","","0.877","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204525","8.527","0.002","21.517","0.003","22.053","0.003","90","","90","","90","","4046.2","1.2","210","2","210","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C160 H160 N16 O56 S8 -","8","1","","Caggiano, Lorenzo; Fox, David J.; House, David; Jones, Zoe A.; Kerr, Fraser; Warren, Stuart","Asymmetric synthesis of tetrahydrofurans by competitive [1,2]-phenylsulfanyl (PhS) migrations under thermodynamic control","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2634","","10.1039/b208556a","","","1.54178","CuKα","","0.0724","0.0434","","","0.0897","0.1006","","","","","","1.065","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204526","10.82","0.003","13.543","0.004","7.72","0.002","91.37","0.03","97.96","0.02","87.39","0.02","1119","0.5","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 O3 S Si -","- C20 H34 O3 S Si -","- C40 H68 O6 S2 Si2 -","2","1","","House, David; Kerr, Fraser; Warren, Stuart","Scope and limitation of the [1,2]-phenylsulfanyl (PhS) migration in the synthesis of tetrahydrofurans and tetrahydropyrans from common triol precursors","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2652","","10.1039/b208558e","","","0.71069","MoKα","","0.1327","0.062","","0.1359","0.1102","","","","1.019","1.122","1.122","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204527","23.445","0.003","6.949","0.003","15.974","0.002","90","","111.514","0.007","90","","2421.2","1.1","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(4,4'-Biimidazole)-(4,4'-biimidazolium chloride)~2~ mixed complex","(4,4'-Biimidazole)-(4,4'-biimidazolium chloride)~2~dihydrate","","- C18 H24 Cl2 N12 O2 -","- C18 H24 Cl2 N12 O2 -","- C72 H96 Cl8 N48 O8 -","4","0.5","","Morita, Yasushi; Murata, Tsuyoshi; Yamada, Satoru; Tadokoro, Makoto; Ichimura, Akio; Nakasuji, Kazuhiro","Novel building blocks for crystal engineering: the first synthesis of oligo(imidazole)sElectronic supplementary information (ESI) available: synthetic procedures and characterisation details for 2, 3, 4 and 5, and X-ray crystallographic data and packing views. See http://www.rsc.org/suppdata/p1/b2/b208777d/","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2598","","10.1039/b208777d","","","1.5418","CuKα","","","0.0563","","","","0.1053","","","","","","1.25","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7204532","5.7982","0.0009","21.474","0.003","8.7813","0.0013","90","","106.221","0.002","90","","1049.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O -","- C28.003 H25 N1.003 O -","- C56.006 H50 N2.006 O2 -","2","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0592","0.049","","","0.1217","0.1273","","","","","","1.057","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204533","25.1727","0.0018","7.5583","0.0006","11.0247","0.0008","90","","93.739","0.002","90","","2093.1","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.036","0.0339","","","0.0883","0.0902","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204534","7.2981","0.0006","10.1999","0.0009","8.6263","0.0008","90","","107.65","0.002","90","","611.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0305","0.0295","","","0.0787","0.0798","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204535","27.263","0.002","27.263","0.002","9.4764","0.001","90","","90","","120","","6099.9","0.9","150","2","150","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C35.67 H33.33 N1.33 O1.33 -","- C35 H31 N O -","- C315 H279 N9 O9 -","9","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0896","0.0694","","","0.1697","0.178","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204536","14.3816","0.0012","9.289","0.0009","9.0729","0.0004","90","","90","","90","","1212.05","0.16","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","mfg221","","","- C12 H13 F2 N O S -","- C13 H13 F2 N O S -","- C52 H52 F8 N4 O4 S4 -","4","0.5","","Motherwell, William B.; Greaney, Michael F.; Edmunds, Jeremy J.; Steed, Jonathan W.","Fluorination of sulfanyl amides using difluoroiodoarene reagents","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2816","","10.1039/b209078c","","","0.71073","MoKα","","0.0721","0.0514","","","0.1049","0.1113","","","","","","1.102","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204537","6.201","0.001","7.933","0.002","14.948","0.003","90","","92.11","0.03","90","","734.8","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C32 H26 F2 O4 S2 -","2","1","","Motherwell, William B.; Greaney, Michael F.; Tocher, Derek A.","Fluorination of ??-phenylsulfanyl esters using difluoroiodotoluene","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2809","","10.1039/b209079a","","","0.71073","MoKα","","0.0931","0.0588","","0.1842","0.1313","","","","1.107","0.986","0.986","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204538","17.464","0.002","9.908","0.001","22.979","0.002","90","","110.74","0.01","90","","3718.5","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium 2-diethoxyphosphoryl-N-hydroxysuccinamate","","- C33 H64 N3 O7 P -","- C33 H63 N3 O7 P -","- C132 H252 N12 O28 P4 -","4","1","","Henryk Krawczyk; Wojciech M. Wolf; Marcin Śliwiński","Nitroalkanes as nucleophiles in a self-catalytic Michael reaction","J. Chem. Soc., Perkin Trans. 1","2002","","24","2794","2798","10.1039/b209302m","","","1.54178","CuKα","","0.0801","0.065","","","0.189","0.2037","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204970","5.371","0.001","10.704","0.002","25.652","0.005","90","","90","","90","","1474.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher†, Derek A.","Selective radical-chain epimerisation at electron-rich chiral tertiary C‒H centres using thiols as protic polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2452","","10.1039/b103558b","","","0.71073","MoKα","","0.0691","0.0483","","0.1468","0.123","","","","1.045","1.052","1.052","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204971","20.375","0.004","11.151","0.002","16.522","0.004","90","","103.55","0.01","90","","3649.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F N O3 -","- C22 H16 F N O3 -","- C176 H128 F8 N8 O24 -","8","1","","Peng, Weimin; Zhu, Shizheng","Reactions of N-benzyl-pyridinium or -isoquinolinium ylides with ethyl 3-fluoro-3-(fluoroalkyl)acrylates to give fluoroalkyl-substituted indolizine and pyrrolo[2,1-a]isoquinoline derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3204","","10.1039/b103586j","","","0.71073","MoKα","","0.2076","0.0652","","","0.1116","0.1502","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204972","12.456","0.002","8.9927","0.0016","13.549","0.002","90","","114.824","0.003","90","","1377.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Schobert, Rainer; Siegfried, Sven; Weingärtner, Jochen; Nieuwenhuyzen, Mark","Oxidations of 3-alkenyltetronic acids with dimethyldioxirane (DMD) and air: regioselectivity and formation of a spirotricyclic hemiketal endoperoxide lactone","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2009","","10.1039/b104227k","","","0.71073","MoKα","","0.0601","0.0481","","","0.1288","0.1399","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204973","20.348","0.002","8.8063","0.0009","18.3387","0.0018","90","","121.243","0.002","90","","2809.6","0.5","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O5 -","- C15 H22 O4 -","- C120 H176 O32 -","8","1","","Schobert, Rainer; Siegfried, Sven; Weingärtner, Jochen; Nieuwenhuyzen, Mark","Oxidations of 3-alkenyltetronic acids with dimethyldioxirane (DMD) and air: regioselectivity and formation of a spirotricyclic hemiketal endoperoxide lactone","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2009","","10.1039/b104227k","","","0.71073","MoKα","","0.0797","0.0514","","","0.1237","0.1442","","","","","","0.845","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204974","9.534","0.001","9.689","0.002","26.056","0.004","90","","90","","90","","2406.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-methoxyphenyl)-azetidin-2-one","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1281","0.0552","","0.1111","0.0847","","","","1.092","1.261","1.261","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204975","9.498","0.002","9.675","0.002","25.765","0.004","90","","90","","90","","2367.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-chlorphenyl)-azetidin-2-one","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1591","0.0598","","0.1475","0.1069","","","","1.036","1.262","1.262","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204976","9.312","0.002","9.733","0.002","26.55","0.006","90","","90","","90","","2406.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-nitrophenyl)-azetidin-2-one","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C104 H100 N12 O20 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1101","0.0545","","0.1412","0.106","","","","1.037","1.155","1.155","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204977","9.626","0.001","9.626","0.001","47.354","0.011","90","","90","","90","","4387.8","1.2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","(3R,4S,1'S)-1-Benzyl-3-(1-benzyloxycarbonylamino)ethyl]-4-(2-furyl)- azetidin-2-one","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.093","0.0535","","0.1032","0.0859","","","","1.107","1.213","1.213","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204978","6.055","0.001","17.352","0.003","20.987","0.003","90","","90","","90","","2205","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (3-thienyl)-azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0978","0.052","","0.1282","0.1001","","","","1.097","1.19","1.19","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204979","9.742","0.002","15.886","0.003","32.683","0.005","90","","90","","90","","5058.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-3-[1-(Benzyloxycarbonylamino)ethyl]-1-tert-butyl-4- mesityl-azetidin-2-one","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C208 H272 N16 O24 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1786","0.097","","0.2476","0.1879","","","","1.15","1.338","1.338","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204980","10.158","0.002","9.524","0.002","12.5834","0.0015","90","","97.301","0.012","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,3S,4S,1'S)-1-Allyl-3-[1-(benzyloxycarbonylamino)-2-methylpropyl]- 4-(2-phenylethenyl)-azetidin-2-one","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C52 H60 N4 O6 -","2","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0575","0.0437","","0.1285","0.1119","","","","1.074","1.113","1.113","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204981","12.3571","0.0006","9.1315","0.0009","19.0056","0.0008","90","","94.281","0.004","90","","2138.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4R,1'S)-4-Acetoxy-1-benzyl-3-[1-(benzyloxycarbonylamino)ethyl]- azetidin-2-one","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0795","0.058","","0.1908","0.1553","","","","1.099","1.127","1.127","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204982","15.917","0.002","9.1897","0.001","20.868","0.003","90","","90","","90","","3052.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-2,4,6-trimethoxybenzaldimine","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1065","0.062","","0.1406","0.1165","","","","1.077","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204983","9.2101","0.0005","20.7429","0.001","11.5524","0.0006","90","","90.117","0.005","90","","2207","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4-(2-thienyl)- azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0944","0.079","","0.2715","0.2244","","","","1.169","1.206","1.206","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204990","25.491","0.002","7.795","0.001","9.982","0.001","90","","90","","90","","1983.4","0.4","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O4 -","- C23 H24 N2 O4 -","- C92 H96 N8 O16 -","4","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0574","0.0407","","","0.0898","0.0969","","","","","","1.08","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204991","9.6451","0.0007","9.5458","0.0007","9.9442","0.0008","90","","99.358","0.002","90","","903.38","0.12","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0844","0.0515","","","0.0957","0.108","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204992","6.0693","0.0006","8.7995","0.0009","21.691","0.002","90","","90","","90","","1158.4","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0545","0.0483","","","0.1194","0.1306","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205002","12.691","0.014","17.33","0.02","12.358","0.014","90","","93.44","0.01","90","","2713","5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O7 -","- C26 H38 O7 -","- C104 H152 O28 -","4","1","","Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C.","Exploitation of chemical predisposition in synthesis: an approach to the manzamenones","Journal of the Chemical Society, Perkin Transactions 1","2002","","4","476","","10.1039/b110829h","","","0.71073","MoKα","","0.2319","0.1132","","","0.3133","0.3825","","","","","","1.051","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205003","11.628","0.013","11.417","0.012","14.112","0.015","90","","101.4","0.01","90","","1837","3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C.","Exploitation of chemical predisposition in synthesis: an approach to the manzamenones","Journal of the Chemical Society, Perkin Transactions 1","2002","","4","476","","10.1039/b110829h","","","0.71073","MoKα","","0.1905","0.0897","","","0.2198","0.2623","","","","","","0.852","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205014","6.237","0.001","26.725","0.002","16.872","0.002","90","","96.2","0.02","90","","2795.8","0.6","299.2","","299.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C132 H144 O16 -","4","1","","Ashram, Muhammad; Miller, David O.; Georghiou, Paris E.","Chemical reactivity of hydroxymethylnaphthols: hetero-Diels‒Alder products of o-naphthoquinomethides derived from 2- and 3-hydroxymethylnaphthols","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1470","","10.1039/b200893a","","","1.5418","CuKα","","0.1751","0.068","","0.075","","0.066","","","1.651","","","2.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205015","8.911","0.004","12.901","0.002","8.346","0.008","91.1","0.04","107.23","0.06","106.15","0.02","874.8","1","299.2","","299.2","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C44 H28 Br4 O4 -","2","1","","Ashram, Muhammad; Miller, David O.; Georghiou, Paris E.","Chemical reactivity of hydroxymethylnaphthols: hetero-Diels‒Alder products of o-naphthoquinomethides derived from 2- and 3-hydroxymethylnaphthols","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1470","","10.1039/b200893a","","","0.7107","MoKα","","0.1361","0.042","","0.033","","0.027","","","1.346","","","1.55","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205016","9.529","0.004","17.524","0.008","12.147","0.005","90","","98.82","0.04","90","","2004.4","1.5","299.2","","299.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 O2 -","- C24 H18 Br2 O2 -","- C96 H72 Br8 O8 -","4","1","","Ashram, Muhammad; Miller, David O.; Georghiou, Paris E.","Chemical reactivity of hydroxymethylnaphthols: hetero-Diels‒Alder products of o-naphthoquinomethides derived from 2- and 3-hydroxymethylnaphthols","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1470","","10.1039/b200893a","","","0.7107","MoKα","","0.1327","0.047","","0.037","","0.032","","","1.408","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205017","7.271","0.001","31.618","0.001","16.619","0.001","90","","92.647","0.002","90","","3816.5","0.6","299.2","","299.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br2 O3 -","- C24 H14 Br2 O3 -","- C192 H112 Br16 O24 -","8","2","","Ashram, Muhammad; Miller, David O.; Georghiou, Paris E.","Chemical reactivity of hydroxymethylnaphthols: hetero-Diels‒Alder products of o-naphthoquinomethides derived from 2- and 3-hydroxymethylnaphthols","Journal of the Chemical Society, Perkin Transactions 1","2002","","12","1470","","10.1039/b200893a","","","1.5418","CuKα","","0.1262","0.046","","0.055","","0.045","","","1.222","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205023","8.9956","0.0002","12.2107","0.0002","18.5397","0.0005","90","","90","","90","","2036.45","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O8 -","- C21 H30 O8 -","- C84 H120 O32 -","4","1","","Eklund, Patrik; Sillanpää, Reijo; Sjöholm, Rainer","Synthetic transformation of hydroxymatairesinol from Norway spruce (Picea abies) to 7-hydroxysecoisolariciresinol, (+)-lariciresinol and (+)-cyclolariciresinol","Journal of the Chemical Society, Perkin Transactions 1","2002","","16","1906","","10.1039/b202493d","","x-ray","0.71073","MoKα","","0.0492","0.04","","","0.0949","0.0998","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205037","17.021","0.006","8.864","0.005","15.78","0.006","90","","90","","90","","2380.8","1.8","250","","","","","","","","","","Local laboratory","4","P n a 21","P 2c -2n","33","","","","- C29 H25 As O3 -","- C29 H25 As O3 -","- C116 H100 As4 O12 -","4","1","","Mitsumoto, Yuhki; Nitta, Makoto","Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2268","","10.1039/b205612g","","","1.54178","CuKα","","0.0482","0.0482","","","0.152","0.1522","","","","","","1.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205038","8.0799","0.0005","13.4532","0.0007","9.692","0.0004","90","","97.948","0.003","90","","1043.41","0.1","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 As N O -","- C27 H20 As N O -","- C54 H40 As2 N2 O2 -","2","1","","Mitsumoto, Yuhki; Nitta, Makoto","Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2268","","10.1039/b205612g","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","1.527","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7212956","14.487","0.002","8.605","0.002","22.048","0.003","90","","90","","90","","2748.5","0.8","293","2","293","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Ling, Ke-Qing; Chen, Xian-Yang; Fun, Hoong-Kun; Huang, Xiao-Ying; Xu, Jian-Hua","Syntheses and electronic structures of benzannelated isoquinolinones and their photoinduced cycloaddition reactions with electron deficient alkenes †","Journal of the Chemical Society, Perkin Transactions 1","1998","","24","4147","","10.1039/a805865b","","","0.71073","MoKα","","0.0846","0.0573","","0.1644","0.1435","","","","1.06","1.13","1.13","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7212957","9.28","0.002","11.797","0.002","16.781","0.003","90","","95.03","0.03","90","","1830","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 S -","- C21 H17 N O5 S -","- C84 H68 N4 O20 S4 -","4","1","","Ling, Ke-Qing; Chen, Xian-Yang; Fun, Hoong-Kun; Huang, Xiao-Ying; Xu, Jian-Hua","Syntheses and electronic structures of benzannelated isoquinolinones and their photoinduced cycloaddition reactions with electron deficient alkenes †","Journal of the Chemical Society, Perkin Transactions 1","1998","","24","4147","","10.1039/a805865b","","","0.71073","MoKα","","0.0652","0.0478","","0.1323","0.1235","","","","1.032","1.098","1.098","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212966","7.943","0.005","8","0.003","16.237","0.003","101.63","0.02","93.12","0.03","112.79","0.03","921.6","0.7","294","1","294","1","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","1","","Maguire, Anita R.; Buckley, N. Rachael; O’Leary, Patrick; Ferguson, George","Stereocontrol in the intramolecular Buchner reaction of diazoketones","Journal of the Chemical Society, Perkin Transactions 1","1998","","24","4077","","10.1039/a807677d","","","0.7107","MolybdenumKα","","0.1577","0.0541","","0.1376","0.1152","","","","0.835","1.192","1.192","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212967","9.556","0.003","6.038","0.002","9.994","0.004","90","","103.69","0.03","90","","560.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R)-3-Phenyl-3,4,6,8-tetrahydro-1H-furo[3,4-b]pyrrole[1,2-6]thiazole","","- C14 H13 N O S -","- C14 H13 N O S -","- C28 H26 N2 O2 S2 -","2","1","","M. V. D. Pinho e Melo, Teresa; M. Barbosa, Dália; J. R. S. Ramos, Paulo; M. d’A. Rocha Gonsalves, António; L. Gilchrist, Thomas; M. Beja, Ana; A. Paixão, José; R. Silva, Manuela; Alte da Veiga, Luiz","Intramolecular dipolar cycloaddition reaction of 5H,7H-thiazolo[3,4-c]oxazol-4-ium-1-olates: synthesis of chiral 1H-pyrrolo[1,2-c]thiazole derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","9","1219","","10.1039/a807678b","","","0.71073","MoKα","","0.0264","0.0254","","","0.0687","0.0694","","","","","","1.063","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212968","10.217","0.002","11.655","0.002","10.936","0.002","90","","117.38","0.03","90","","1156.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C44 H64 O14 -","2","1","","Aggarwal, Varinder K.; Masters, Susannah J.; Adams, Harry; Spey, Sharon E.; Brown, George R.; Foubister, Alan J.","The effects of different ester and ketal protecting groups on the reactivity and selectivity of tartrate-derived silylketene acetals","Journal of the Chemical Society, Perkin Transactions 1","1999","","2","155","","10.1039/a807863g","","","0.71073","MoKα","","0.0628","0.0495","","0.1816","0.1253","","","","1.107","1.002","1.002","","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212973","5.452","0.012","7.353","0.006","19.264","0.019","90","","90","","90","","772","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Woydowski, Karsten; Fleischhauer, Jörg; Schiffer, Jan; Liebscher, Jürgen","Synthesis of optically active 3,4,5,6-tetrahydro-2H-1,4-thiazin-3-ones and their benzo analogues by ring transformation of glycidic esters","Journal of the Chemical Society, Perkin Transactions 1","1999","","2","149","","10.1039/a808111e","","","0.71073","MoKα","","0.0474","0.0434","","0.1317","0.1103","","","","1.079","1.077","1.077","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212978","6.056","0.002","20.437","0.005","21.335","0.005","90","","95.2","0.02","90","","2629.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N4 O -","- C32 H30 N4 O -","- C128 H120 N16 O4 -","4","1","","Sharma, Arun K.; Hundal, Geeta; Obrai, Sangeeta; Mahajan, Mohinder P.","Highly regioselective nucleophilic/cycloaddition reactions of N-arylamino 1,3-diazabuta-1,3-dienes with α-nitrosostyrenes: synthesis of functionalised imidazoles and imidazole oxides","Journal of the Chemical Society, Perkin Transactions 1","1999","","5","615","","10.1039/a808574i","","","0.71073","MoKα","","0.0766","0.0512","","0.1792","0.1488","","","","1.103","1.125","1.125","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212979","12.295","0.001","9.554","0.001","20.636","0.002","90","","99.7","0.01","90","","2389.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Sharma, Arun K.; Hundal, Geeta; Obrai, Sangeeta; Mahajan, Mohinder P.","Highly regioselective nucleophilic/cycloaddition reactions of N-arylamino 1,3-diazabuta-1,3-dienes with α-nitrosostyrenes: synthesis of functionalised imidazoles and imidazole oxides","Journal of the Chemical Society, Perkin Transactions 1","1999","","5","615","","10.1039/a808574i","","","0.71073","MoKα","","0.0693","0.0447","","0.1454","0.1122","","","","1.14","1.061","1.061","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212980","14.998","0.003","9.397","0.002","14.153","0.004","90","","111.847","0.018","90","","1851.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Ethyl 14-Methyl 3-Methyl-15-oxo-17-oxa-2,16-diazapentacyclo[12.2.1.0^1,12^. 0^5,16^.0^6,11^]heptadeca-6,8,10-triene-4,14-dicarboxylate","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Jauk, Birgit; Belaj, Ferdinand; Kappe, C. Oliver","Synthesis and reactions of Biginelli-compounds. Part 14.1 A rhodium-induced cyclization‒cycloaddition sequence for the construction of conformationally rigid calcium channel modulators of the dihydropyrimidine type","Journal of the Chemical Society, Perkin Transactions 1","1999","","3","307","","10.1039/a808594c","","","0.71069","MoKα","","0.0826","0.0492","","","0.1058","0.1238","","","","","","1.025","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212981","9.133","0.002","10.921","0.002","22.979","0.005","90","","91.29","0.03","90","","2291.4","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","","Setälä, Harri; Pajunen, Aarne; Rummakko, Petteri; Sipilä, Jussi; Brunow, Gösta","A novel type of spiro compound formed by oxidative cross coupling of methyl sinapate with a syringyl lignin model compound. A model system for the β-1 pathway in lignin biosynthesis","Journal of the Chemical Society, Perkin Transactions 1","1999","","4","461","","10.1039/a808884e","","","0.71073","MoKα","","0.1433","0.0762","","0.2004","0.1651","","","","1.027","1.243","1.243","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212991","12.027","0.003","12.291","0.005","8.642","0.002","93.98","0.03","95.05","0.02","75.6","0.03","1231.1","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cl2 O4 -","- C30 H22 Cl2 O4 -","- C60 H44 Cl4 O8 -","2","1","","Iwamoto, Hidetoshi; Takuwa, Akio; Hamada, Kensaku; Fujiwara, Ryuji","Intra- and intermolecular photocyclization of vinylbenzo-1,4-quinones","Journal of the Chemical Society, Perkin Transactions 1","1999","","5","575","","10.1039/a809530b","","","1.5418","CuKα","","0.061","0.059","","","0.1387","0.1403","","","","","","1.135","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212992","9.537","0.001","9.828","0.002","9.09","0.001","115.5","0.01","97.54","0.01","89.19","0.01","761.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","dihydropyrene 9a","2,7-di-tert-butyl-10b,10c-bis(trimethylsilylmethyl)-trans-10b,10c-dihydropyrene","","- C32 H48 Si2 -","- C32 H48 Si2 -","- C32 H48 Si2 -","1","0.5","","Sawada, Tsuyoshi; Wakabayashi, Masaki; Takeo, Hiromi; Miyazawa, Akira; Tashiro, Masashi; Thiemann, Thies; Mataka, Shuntaro","Novel, strained 10b,10c-dihydropyrenes bearing bulky TMSCH2 groups at the internal positions","Journal of the Chemical Society, Perkin Transactions 1","1999","","4","403","","10.1039/a809561b","","","1.54184","CuKα","","0.059","0.0454","","0.1265","0.1171","","","","1.032","1.051","1.051","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212993","20.586","0.018","13.153","0.006","19.186","0.008","90","","93.23","0.05","90","","5187","6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dihydropyrene 9b","2,7-di-tert-butyl-10b-methyl-10c-trimethylsilylmethyl-trans-10b, 10c-dihydropyrene","","- C29 H40 Si -","- C29 H40 Si -","- C232 H320 Si8 -","8","2","","Sawada, Tsuyoshi; Wakabayashi, Masaki; Takeo, Hiromi; Miyazawa, Akira; Tashiro, Masashi; Thiemann, Thies; Mataka, Shuntaro","Novel, strained 10b,10c-dihydropyrenes bearing bulky TMSCH2 groups at the internal positions","Journal of the Chemical Society, Perkin Transactions 1","1999","","4","403","","10.1039/a809561b","","","1.54184","CuKa","","0.3566","0.0917","","0.3669","0.2042","","","","1.002","1.271","1.271","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212998","11.727","0.004","10.915","0.004","12.109","0.004","90","","112.25","0.02","90","","1434.5","0.9","293.2","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 O8 -","- C32 H44 O8 -","- C64 H88 O16 -","2","0.5","","Takagi, Hideki; Hayashi, Takashi; Mizutani, Tadashi; Masuda, Hideki; Ogoshi, Hisanobu","Synthesis and structure of tetraols with convergent and divergent arrays of hydroxy groups","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1885","","10.1039/a809834d","","","0.7107","MoKα","","","0.036","","","0.052","","","","","1.95","1.95","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213011","6.164","0.009","14.114","0.005","14.378","0.005","64.94","0.04","86.34","0.04","80.33","0.04","1117","1.8","180","2","180","2","","","","","","","","3","P 1","P 1","1","","","","- C52 H56 O10 -","- C52 H56 O10 -","- C52 H56 O10 -","1","1","","Painter, Gavin F.; Grove, Simon J. A.; Gilbert, Ian H.; Holmes, Andrew B.; Raithby, Paul R.; Hill, Malcolm L.; Hawkins, Phillip T.; Stephens, Leonard R.","General synthesis of 3-phosphorylated myo-inositol phospholipids and derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","923","","10.1039/a900278b","","","0.71073","MoKα","","0.0736","0.0553","","","0.1078","0.1163","","","","","","1.012","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213012","13.322","0.005","6.274","0.002","13.281","0.005","90","","107.9","0.02","90","","1056.3","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 N3 O6 S -","- C7 H9 N3 O6 S -","- C28 H36 N12 O24 S4 -","4","2","","Betts, Michael J.; Pritchard, Robin G.; Schofield, Anthony; Stoodley, Richard J.; Vohra, Shaheen","‘Hidden’ axial chirality as a stereodirecting element in reactions involving enol(ate) intermediates. Part 2.† Cyclisation reactions of methyl (4R)-3-(2-diazo-3-oxobutanoyl)-1,1-dioxo-1λ6,3- (and 1-oxo-1λ4,3-) thiazolidine-4-carboxylates","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","1067","","10.1039/a900280d","","","0.71069","MoKα","","0.1352","0.0414","","","0.0953","0.125","","","","","","0.981","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213020","32.927","0.005","11.611","0.004","11.161","0.005","90","","108.51","0.02","90","","4046","2","233","","233","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 I N2 O2 S -","- C20 H25 I N2 O2 S -","- C160 H200 I8 N16 O16 S8 -","8","1","","Callaghan, Owen; Lampard, Christopher; Kennedy, Alan R.; Murphy, John A.","A novel total synthesis of (±)-aspidospermidine","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","995","","10.1039/a900335e","","","0.71069","MoKalpha","","","0.0587","","","0.0603","","","","","1.538","1.538","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213021","10.2919","0.0008","12.0062","0.0009","14.139","0.001","88.543","0.001","76.608","0.001","77.637","0.001","1659.7","0.2","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 Mn N3 O2 -","- C38 H42 Mn N3 O2 -","- C76 H84 Mn2 N6 O4 -","2","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.79","2.79","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213022","9.9795","0.0004","13.4234","0.0006","14.6685","0.0006","63.144","0.001","78.596","0.001","71.541","0.001","1659.37","0.12","122","2","122","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Mn N3 O2 -","- C36 H52 Mn N3 O2 -","- C72 H104 Mn2 N6 O4 -","2","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","0.0681","0.0523","","","0.1191","0.1325","","","","","","1.101","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213023","12.2876","0.0005","9.1876","0.0004","24.399","0.001","90","","90.518","0.001","90","","2754.4","0.2","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 Br2 Mn N3 O2 -","- C28 H34 Br2 Mn N3 O2 -","- C112 H136 Br8 Mn4 N12 O8 -","4","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","","0.06","","","0.068","","","","","0.745","0.745","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213024","12.749","0.002","16.163","0.002","10.624","0.002","90","","90","","90","","2189.2","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C100 H108 N4 O24 -","4","1","","Ikeda, Masazumi; Hamada, Masahiro; Yamashita, Takashi; Matsui, Katsuaki; Sato, Tatsunori; Ishibashi, Hiroyuki","Stereoselective synthesis of (3R*,3aS*,7aS*)-3-aryloctahydroindol-2-ones using radical cyclisation: a formal synthesis of (±)-pancracine","Journal of the Chemical Society, Perkin Transactions 1","1999","","14","1949","","10.1039/a900467j","","","1.5418","CuKα","","0.0369","0.0369","","","0.0584","0.0584","","","","","","1.385","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213026","13.741","0.001","7.2","0.0007","24.483","0.002","90","","109.322","0.005","90","","2285.8","0.3","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 Cl N3 O3 -","- C9 H13 Cl N3 O3.5 -","- C72 H104 Cl8 N24 O28 -","8","1","","Momotake, Atsuya; Togo, Hideo; Yokoyama, Masataka","Convenient synthesis of C-aza-2,3-dideoxynucleosides","Journal of the Chemical Society, Perkin Transactions 1","1999","","9","1193","","10.1039/a900689c","","","1.5418","CuKα","","0.0672","0.0672","","","0.0953","0.0953","","","","","","4.318","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213027","4.911","0.004","16.391","0.005","9.146","0.003","90","","97.44","0.04","90","","730","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-methyl-6-(2-chloroethyl)-8-(2-deoxy-beta-D-ribofuranosyl)-1,2,4,- triazolo[1,5-c]pyrimidin-5-one","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C26 H34 Cl2 N8 O8 -","2","1","","Loakes, David; Brown, Daniel M.; Salisbury, Stephen A.","A Dimroth rearrangement of pyrimidine nucleosides","Journal of the Chemical Society, Perkin Transactions 1","1999","","10","1333","","10.1039/a900748b","","","0.71069","MoKα","","0.0431","0.037","","0.1028","0.0966","","","","0.937","0.934","0.934","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213028","7.8039","0.0003","16.9741","0.0004","12.6159","0.0006","90","","99.222","0.002","90","","1649.55","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-Amino-5,6-dichloro-pyrimidin-2-yl)-4-(pyridin-4-yl)- pyridinium chloride","","- C14 H14 Cl3 N5 O2 -","- C14 H14 Cl3 N5 O2 -","- C56 H56 Cl12 N20 O8 -","4","1","","Schmidt, Andreas; Nieger, Martin","New vinylogous mesomeric betaines: synthesis and tautomerism of pyridiniopyrimidine appended 5-iminopenta-1,3-dienolates","Journal of the Chemical Society, Perkin Transactions 1","1999","","10","1325","","10.1039/a900792j","","","0.71073","MoKα","","0.0452","0.0399","","","0.1052","0.1086","","","","","","1.062","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213029","9.7511","0.0007","7.3223","0.0012","20.122","0.005","90","","101.377","0.012","90","","1408.5","0.4","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","","Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon","Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1517","","10.1039/a900941h","","","0.71069","MoKα","","0.0617","0.0437","","0.1333","0.1031","","","","0.976","1.077","1.077","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213030","8.023","0.002","11.419","0.002","11.582","0.002","91.53","0.03","97.3","0.03","105.76","0.03","1010.8","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H25 N11 -","- C19 H25 N11 -","- C38 H50 N22 -","2","1","","Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon","Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1517","","10.1039/a900941h","","","0.71073","MoKα","","0.0634","0.0496","","0.1353","0.1227","","","","0.942","1.088","1.088","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213031","9.576","0.007","12.716","0.009","13.076","0.009","78.89","0.02","76.29","0.02","78.57","0.02","1498.3","1.8","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 Cl3 N12 -","- C27 H28 Cl3 N12 -","- C54 H56 Cl6 N24 -","2","1","","Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon","Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1517","","10.1039/a900941h","","","0.6879","synchrotron","","0.0812","0.0735","","0.2262","0.2136","","","","0.999","1.043","1.043","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213032","9.766","0.001","11.568","0.001","9.367","0.001","112.21","0.01","117.65","0.02","75.36","0.02","864","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Fujita, Morifumi; Lainé, Dramane; Ley, Steven V.","Dispiroketals in synthesis. Part 25.1 Further reactions of dispiroketal protected glycolate to afford optically active 1,2,3,4-tetraols","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1647","","10.1039/a900951e","","","0.71069","MoKα","","0.0582","0.0527","","0.1252","0.1204","","","","1.203","1.216","1.216","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213034","5.939","0.004","14.95","0.007","11.748","0.007","90","","91.14","0.06","90","","1042.9","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 O4 S -","- C24 H28 O4 S -","- C48 H56 O8 S2 -","2","1","","Lam, Hon Wai; Cooke, Paul A.; Pattenden, Gerald; Bandaranayake, Wickramasinghe M.; Wickramasinghe, Wasantha A.","Structure and total synthesis of benzylthiocrellidone, a novel dimedone-based vinyl sulfide from the sponge Crella spinulata","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","847","","10.1039/a901323g","","","0.71073","MoKα","","0.1605","0.0988","","","0.1951","0.2436","","","","","","1.195","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213035","19.028","0.004","19.028","0.004","7.014","0.003","90","","90","","90","","2539.5","1.3","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","","Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda","Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1853","","10.1039/a901332f","","","0.71069","MoKα","","0.2003","0.0468","","","0.1282","0.1869","","","","","","1.007","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213036","8.3838","0.001","6.638","0.001","10.58","0.002","90","","93.35","0.02","90","","587.79","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C24 H22 N10 O2 -","2","1","","Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda","Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1853","","10.1039/a901332f","","","0.71069","MoKα","","0.0434","0.0343","","","0.1057","0.1151","","","","","","0.964","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213037","8.767","0.004","24.309","0.006","12.476","0.004","90","","110.44","0.03","90","","2491.4","1.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F N2 -","- C14 H17 F N2 -","- C112 H136 F8 N16 -","8","2","","Kao, Kuo-Hsi; Sheu, Ren-Shyang; Chen, Yuh-Shih; Lin, Wen-Wei; Liu, Ju-Tsung; Yao, Ching-Fa","Face selectivity in the reactions of Grignard reagents with 5-substituted-2-dicyanomethyleneadamantanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","16","2383","","10.1039/a901484e","","","0.7093","MolybdenumKα","","0.295","0.067","","0.237","0.066","","","","","0.56","0.56","","","","","has coordinates","209477","2020-10-21","18:00:00",""
"7213038","7.5393","0.0009","9.1199","0.001","23.597","0.005","90","","95.474","0.013","90","","1615.1","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F N2 -","- C20 H21 F N2 -","- C80 H84 F4 N8 -","4","1","","Kao, Kuo-Hsi; Sheu, Ren-Shyang; Chen, Yuh-Shih; Lin, Wen-Wei; Liu, Ju-Tsung; Yao, Ching-Fa","Face selectivity in the reactions of Grignard reagents with 5-substituted-2-dicyanomethyleneadamantanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","16","2383","","10.1039/a901484e","","","0.7093","MolybdenumKα","","0.079","0.052","","0.067","0.056","","","","","1.83","1.83","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213039","6.79","0.001","7.614","0.002","12.02","0.002","93.73","0.03","99.86","0.03","115.41","0.03","546.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","1","","Chow, Tahsin J.; Hon, Yung-Son; Jen, Chung-Chi; Chern, Jyh-Haur; Lin, Kuan-Jiuh","Chemistry of cage-shaped hydrocarbons. Ring transformations on a tricyclo[5.2.1.0 4,10]decane system","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1847","","10.1039/a901536a","","","0.71069","MoKα","","0.0593","0.0403","","0.1396","0.1216","","","","0.777","0.815","0.815","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213047","9.2079","0.001","10.2328","0.001","10.764","0.002","105.59","0.015","99.435","0.013","91.538","0.011","961","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N4 S -","- C21 H18 N4 S -","- C42 H36 N8 S2 -","2","1","","Butler, Richard N.; Cloonan, Martin O.; McArdle, P.; Cunningham, D.","1,2,3-Thiadiazol-3-ium-3-methanide (ylide) 1,3-dipoles: cycloaddition‒rearrangement sequences leading to substituted 1-(2-vinylthioethenyl)pyrazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1415","","10.1039/a901727e","","","0.71069","MoKα","","0.081","0.0392","","","0.1055","0.1173","","","","","","1.031","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213048","10.605","0.002","11.781","0.002","12.306","0.003","97.974","0.015","105.989","0.016","111.055","0.012","1330","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O8 S -","- C27 H24 N2 O8 S -","- C54 H48 N4 O16 S2 -","2","1","","Butler, Richard N.; Cloonan, Martin O.; McArdle, P.; Cunningham, D.","1,2,3-Thiadiazol-3-ium-3-methanide (ylide) 1,3-dipoles: cycloaddition‒rearrangement sequences leading to substituted 1-(2-vinylthioethenyl)pyrazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1415","","10.1039/a901727e","","","0.71069","MoKα","","0.0832","0.0725","","","0.2244","0.2348","","","","","","1.089","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213054","8.2588","0.0002","13.6878","0.0001","24.1712","0.0004","90","","96.55","0.001","90","","2714.59","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C104 H152 N16 O24 -","4","2","","Efskind, Jon; Rømming, Christian; Undheim, Kjell","Ru(II)-Catalysis in preparation of sterically congested and stereochemically homogeneous heterospiranes","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1677","","10.1039/a901913h","","","0.71073","MoKα","","0.131","0.0802","","0.2912","0.2187","","","","1.151","1.163","1.163","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213062","7.4889","0.0012","8.9188","0.0012","16.948","0.002","90","","101.972","0.017","90","","1107.4","0.3","213","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O4 S -","- C22 H34 N2 O4 S -","- C44 H68 N4 O8 S2 -","2","1","","Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.","Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1399","","10.1039/a902182e","","","0.71073","MoKα","","0.0616","0.0524","","","0.1246","0.1289","","","","","","0.978","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213063","10.5115","0.0012","11.468","0.003","20.141","0.003","90","","90","","90","","2427.9","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O4 S2 -","- C23 H34 N2 O4 S2 -","- C92 H136 N8 O16 S8 -","4","1","","Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.","Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1399","","10.1039/a902182e","","","0.71073","MoKα","","0.044","0.0344","","","0.0779","0.0812","","","","","","0.974","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213066","26.276","0.004","16.196","0.003","24.731","0.002","90","","112.66","0.01","90","","9712","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5_a,7b_a,8_a,13_a,13a_a,16a_a,17_a)-7b-Bromo- 7b,8,13,13a,16a,17-hexahydro-5,8,13,17-tetraphenyl-5,17:8,13- diepoxynaphth[2',3'-2,3]azuleno[5,6-c][2]benzoxepin- 14(5H)-one","","- C62 H45 Br O4 -","- C62 H45 Br O4 -","- C496 H360 Br8 O32 -","8","1","","Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo","Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2129","","10.1039/a902493j","","","1.54184","CuKα","","0.059","0.0463","","","0.1292","0.1381","","","","","","1.044","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213067","41.133","0.009","12.545","0.002","18.353","0.003","90","","99.29","0.02","90","","9346","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5_a,6_b,8b_b,9_a,14_a,14a_b,16_b,17_a)-8b-Bromo- 5,6,8b,9,14,14a,16,17-octahydro-5,9,14,17-tetraphenyl-5,17:9,14- diepoxybenzo[5',6']cyclodeca[1',2'-3,4]cyclopenta[1,2-b] naphthalene-15,18-dione","","- C62 H45 Br O4 -","- C62 H45 Br O4 -","- C496 H360 Br8 O32 -","8","1","","Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo","Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2129","","10.1039/a902493j","","","1.54184","CuKα","","0.1307","0.0606","","","0.1464","0.182","","","","","","1.007","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213068","12.699","0.002","16.985","0.002","9.715","0.002","90","","101.75","0.01","90","","2051.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5_a,6_b,9a_a,10_a,15_a,16_b,17_a)-15a-Bromo- 5,6,9a,10,15,15a,16,17-octahydro-5,17:10,15-diepoxy- 6,16-methanobenzo[5',6']cyclodeca[2',1'-3,4]cyclopenta [1,2-b]naphthaleno-9,18-dione","","- C26 H17 Br O4 -","- C26 H17 Br O4 -","- C104 H68 Br4 O16 -","4","1","","Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo","Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2129","","10.1039/a902493j","","","1.54184","CuKα","","0.0398","0.0376","","","0.1015","0.1028","","","","","","1.161","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213069","8.114","0.011","26.501","0.011","13.45","0.006","90","","101.42","0.06","90","","2835","4","248","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl9 N3 S Sb -","- C18 H17 Cl9 N3 S Sb -","- C72 H68 Cl36 N12 S4 Sb4 -","4","1","","El-Gazzar, Abdel-Rahman B.A.; Scholten, Kirsten; Guo, Yiping; Weißenbach, Kerstin; Hitzler, Martin G.; Roth, Gerhard; Fischer, Helmut; Jochims, Johannes C.","Cycloadditions of 1-aza-2-azoniaallene cations to isothiocyanates","Journal of the Chemical Society, Perkin Transactions 1","1999","","14","1999","","10.1039/a902505g","","","0.71073","MoKα","","0.0475","0.038","","0.0973","0.0904","","","","1.048","1.067","1.067","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213070","6.0668","0.001","11.952","0.003","23.096","0.009","90","","90","","90","","1674.7","0.8","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Rae, Alastair; Aliev, Abil E.; Anderson, J. Edgar; Castro, José L.; Ker, James; Parsons, Simon; Stchedroff, Marc; Thomas, Steven; Tabor, Alethea B.","Preparation and structure of homochiral tetrahydro-2H-1,3-oxazines","Journal of the Chemical Society, Perkin Transactions 1","1999","","14","1933","","10.1039/a902667c","","","1.54184","CuKα","","0.2362","0.0997","","0.2847","0.2053","","","","1.012","1.335","1.335","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213079","7.7023","0.0013","9.925","0.002","13.356","0.002","80.96","0.03","76.495","0.011","70.767","0.013","933.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C40 H42 F4 N2 O6 -","2","1","","Balnaves, Andrew S.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Palmer, Michael J.; Percy, Jonathan M.","The generation of difluoroenolates from trifluoroethanol and reproducible syntheses of α,α-difluoro-β-hydroxy ketones","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2525","","10.1039/a902966d","","","0.71069","MoKα","","0.0783","0.0429","","0.1054","0.0975","","","","0.648","0.852","0.852","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213080","7.7241","0.0003","25.4363","0.0008","10.1058","0.0004","90","","103.075","0.0016","90","","1934.04","0.12","423","2","423","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F2 N2 O6 -","- C17 H22 F2 N2 O6 -","- C68 H88 F8 N8 O24 -","4","1","","Balnaves, Andrew S.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Palmer, Michael J.; Percy, Jonathan M.","The generation of difluoroenolates from trifluoroethanol and reproducible syntheses of α,α-difluoro-β-hydroxy ketones","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2525","","10.1039/a902966d","","","0.71073","MoKα","","0.0763","0.057","","0.1512","0.1401","","","","1.021","1.082","1.082","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213083","13.33","0.002","8.404","0.002","15.1","0.002","90","","100.2","0.01","90","","1664.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 S -","- C17 H19 N3 O2 S -","- C68 H76 N12 O8 S4 -","4","1","","Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic","N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","1999","","19","2821","","10.1039/a903150b","","","0.71069","MoKα","","0.0771","0.0371","","","0.1002","0.1143","","","","","","1.029","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213084","8.032","0.003","13.044","0.002","17.604","0.004","90","","90","","90","","1844.4","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","","Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic","N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","1999","","19","2821","","10.1039/a903150b","","","0.71069","MoKα","","0.0328","0.0327","","","0.1069","0.107","","","","","","1.18","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213085","12.638","0.007","7.998","0.002","12.968","0.001","90","","93.15","0.02","90","","1308.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic","N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","1999","","19","2821","","10.1039/a903150b","","","0.71069","MoKα","","0.077","0.0611","","","0.1663","0.1789","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213086","12.26","0.004","19.77","0.009","10.336","0.002","90","","94.688","0.002","90","","2496.9","1.5","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","11b","1-(1'-Naphthyl)-4,5:9,10-dibenzobicyclo[5,4,0,02,11]undeca-4,9-diene","","- C35 H30 -","- C35 H30 -","- C140 H120 -","4","1","","Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro","Novel rearrangement of conformationally restrained [3.3]orthocyclophanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2101","","10.1039/a903156a","","","1.54184","CuKa","","0.1323","0.0569","","","0.1317","0.1869","","","1.108","","","1.087","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213087","18.639","0.004","10.296","0.002","9.869","0.002","90","","96.77","0.02","90","","1880.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6a","5-Bromomethyl-5a-phenyl-5,5a,6,11,11a,12-hexahydronaphthacene","","- C25 H23 Br -","- C25 H23 Br -","- C100 H92 Br4 -","4","1","","Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro","Novel rearrangement of conformationally restrained [3.3]orthocyclophanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2101","","10.1039/a903156a","","","1.54184","CuKα","","0.0586","0.0438","","","0.1437","0.183","","","","","","1.16","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213088","9.376","0.002","23.622","0.003","9.288","0.002","90","","112.03","0.02","90","","1906.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5","12-Bromo-11a-phenyl-5a,6,11,11a,12,13-hexahydro-5H-benzo[4,5]cyclohepta[1,2 b]naphthalene","","- C25 H23 Br -","- C25 H23 Br -","- C100 H92 Br4 -","4","1","","Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro","Novel rearrangement of conformationally restrained [3.3]orthocyclophanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2101","","10.1039/a903156a","","","1.54184","CuKa","","0.0542","0.0476","","","0.1328","0.1475","","","","","","1.099","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213090","9.382","0.002","12.1345","0.0012","17.121","0.002","90","","97.215","0.013","90","","1933.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 O3 -","- C18 H30 N4 O3 -","- C72 H120 N16 O12 -","4","1","","Long, Nicholas J.; Parker, David G.; Speyer, Paul R.; White, Andrew J. P.; Williams, David J.","Efficient syntheses of polymerisable pendant arm azamacrocycles and formation of poly(vinylbenzyltriazacyclododecane)","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1621","","10.1039/a903318a","","","0.71073","MoKα","","0.0902","0.052","","0.1463","0.1213","","","","1.009","1.097","1.097","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213092","8.195","0.001","9.437","0.002","9.663","0.002","98.89","0.003","105.927","0.003","106.06","0.003","668.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C24 H30 N2 O8 S2 -","2","1","","Juhl, Karsten; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic enantioselective formation of aziridines from α-imino esters","Journal of the Chemical Society, Perkin Transactions 1","1999","","16","2293","","10.1039/a903521d","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.36","1.36","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213093","9.758","0.002","17.425","0.001","19.072","0.001","90","","90","","90","","3242.9","0.7","150","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N3 O4 -","- C36 H45 N3 O4 -","- C144 H180 N12 O16 -","4","1","","Enders, Dieter; Shilvock, John P.; Raabe, Gerhard","Asymmetric nucleophilic α-amino-acylation with metalated chiral amino nitriles: enantioselective synthesis of 3-substituted 5-amino-4-oxo-esters via asymmetric Michael addition","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1617","","10.1039/a903536b","","","","CuKα","","0.092","0.072","","0.08","0.075","","","","1.457","1.472","1.472","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213096","6.998","0.001","18.07","0.002","11.031","0.002","90","","104.53","0.01","90","","1350.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Srikrishna, Adusumilli; Nagaraju, Sankuratri; Venkateswarlu, Somepalli; Hiremath, Uma S.; Reddy, T. Jagadeeswar; Venugopalan, Paloth","A formal total synthesis of (±)-homogynolide-B","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2069","","10.1039/a903866c","","","0.71073","MoKα","","0.0742","0.0511","","","0.1279","0.1425","","","","","","1.02","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213097","9.8331","0.001","10.3392","0.001","10.5216","0.0012","90","","99.957","0.012","90","","1053.58","0.19","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O3 -","- C24 H28 O3 -","- C48 H56 O6 -","2","1","","Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.","Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2061","","10.1039/a903961i","","","1.54184","CuKα","","0.0453","0.045","","","0.1266","0.1269","","","","","","1.055","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213098","10.0392","0.0008","7.6254","0.0006","13.2278","0.0011","90","","107.559","0.007","90","","965.45","0.14","160","2","160","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O8 -","- C18 H28 O8 -","- C36 H56 O16 -","2","1","","Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.","Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2061","","10.1039/a903961i","","","1.54184","CuKα","","0.042","0.0409","","","0.1086","0.1101","","","","","","1.056","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213099","8.92","0.001","9.845","0.001","26.878","0.001","90","","92.23","0.02","90","","2358.6","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O4 S2 -","- C23 H28 N4 O4 S2 -","- C92 H112 N16 O16 S8 -","4","1","","Adamson, Jason; Coe, Benjamin J.; Grassam, Helen L.; Jeffery, John C.; Coles, Simon J.; Hursthouse, Michael B.","Reactions of 1,3-diethyl-2-thiobarbituric acid with aldehydes: formation of arylbis(1,3-diethyl-2-thiobarbitur-5-yl)methanes † and crystallographic evidence for ground state polarisation in 1,3-diethyl-5-[4-(dimethylamino)benzylidene]-2-thiobarbituric acid","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2483","","10.1039/a904015c","","","0.71073","MoKα","","","0.042","","","","0.1399","","","","","","1.111","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213100","5.928","0.0006","13.671","0.0015","18.592","0.002","86.079","0.005","80.87","0.006","77.481","0.005","1451.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-Acetamido-t-4-methanesulfonyloxycyclohexane-r-1-carboxylate","","- C11 H19 N O6 S -","- C11 H19 N O6 S -","- C44 H76 N4 O24 S4 -","4","2","","Avenoza, Alberto; Cativiela, Carlos; Fernández-Recio, Miguel A.; Peregrina, Jesús M.","Synthesis of 1-amino-4-hydroxycyclohexane-1-carboxylic acids","Journal of the Chemical Society, Perkin Transactions 1","1999","","22","3375","","10.1039/a904132j","","","0.7107","MoKα","","0.131","0.0765","","","0.1878","0.2281","","","","","","1.026","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213101","34.154","0.001","8.581","0.0002","9.984","0.0003","90","","92.511","0.0016","90","","2923.26","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 1-Acetamido-c-4-methanesulfonyloxycyclohexane-r-1-carboxylate","","- C11 H19 N O6 S -","- C11 H19 N O6 S -","- C88 H152 N8 O48 S8 -","8","1","","Avenoza, Alberto; Cativiela, Carlos; Fernández-Recio, Miguel A.; Peregrina, Jesús M.","Synthesis of 1-amino-4-hydroxycyclohexane-1-carboxylic acids","Journal of the Chemical Society, Perkin Transactions 1","1999","","22","3375","","10.1039/a904132j","","","0.7107","MoKα","","0.0584","0.045","","","0.1252","0.1438","","","","","","1.062","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213108","13.684","0.002","5.827","0.001","20.132","0.003","90","0.02","91.76","0.02","90","0.02","1604.5","0.4","293","2","293","2","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","3,3'''''-bis(butylthio)-2,2':5,,2'':5'',2''':5''',2'''':5'''',2'''''- -sexithiophene","","- C32 H30 S8 -","- C32 H30 S8 -","- C64 H60 S16 -","2","0.5","","Antolini, Luciano; Borsari, Marco; Goldoni, Francesca; Iarossi, Dario; Mucci, Adele; Schenetti, Luisa","Synthesis, structural characterization and electronic properties of 3,3″″′-bis(butylsulfanyl)-2,2′∶5′,2″∶5″,2‴∶5‴,2″″∶5″″,2‴″-sexithiophene","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3207","","10.1039/a904313f","","","0.71069","MoKα","","0.1109","0.054","","0.1759","0.1482","","","","0.979","1.152","1.152","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213112","8.883","0.002","12.104","0.002","13.479","0.003","88.19","0.03","84.38","0.03","85.53","0.03","1437.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-formyl-1,3beta,5,7alpha-tetramethylbicyclo[3.3.1]nonan-3alpha-amine ?","","- C14 H25 N O -","- C14 H25 N O -","- C56 H100 N4 O4 -","4","2","","Jirgensons, Aigars; Kauss, Valerjans; Mishnev, Anatolij F.; Kalvinsh, Ivars","The synthesis of 3-amino-3-methylbicyclo[3.3.1]nonanes: Endo-selectivity in the Ritter reaction of 1,3,5,7α-tetramethylbicyclo[3.3.1]nonan-3-ol","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3527","","10.1039/a904394b","","","0.71073","MoKα","","0.1156","0.0846","","0.215","0.1832","","","","1.114","1.164","1.164","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213127","15.048","0.004","11.327","0.003","16.988","0.004","90","0.02","97.02","0.02","90","0.02","2873.9","1.3","286.2","","286.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H42 O4 S Si -","- C27 H42 O4 S Si -","- C108 H168 O16 S4 Si4 -","4","1","","Fujishima, Hiroshi; Takeshita, Hiroshi; Suzuki, Shuichi; Toyota, Masahiro; Ihara, Masataka","Hexamethyldisilazanes mediated one-pot intramolecular Michael addition‒olefination reactions leading to exo-olefinated bicyclo[6.4.0]dodecanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","18","2609","","10.1039/a904484a","","","1.5418","CuKα","","","0.0631","","","0.0634","","","","","3.008","3.008","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213129","7.814","0.002","8.2112","0.0006","10.115","0.002","86.496","0.012","88.77","0.02","85.463","0.012","645.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 Cl2 N O2 S4 -","- C8 H5 Cl2 N O2 S4 -","- C16 H10 Cl4 N2 O4 S8 -","2","1","","Barriga, Susana; Konstantinova, Lidia S.; Marcos, Carlos F.; Rakitin, Oleg A.; Rees, Charles W.; Torroba, Tomás; White, Andrew J. P.; Williams, David J.","Conversion of N-alkyldiisopropylamines into N,N-bis(5-chloro-3-oxo[1,2]dithiol-4-yl)amines","Journal of the Chemical Society, Perkin Transactions 1","1999","","16","2237","","10.1039/a904680a","","","1.54178","CuKα","","0.0543","0.0469","","0.141","0.1279","","","","1.088","1.125","1.125","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213130","10.061","0.003","9.145","0.003","11.597","0.005","90","","114.76","0.03","90","","968.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B N -","- C10 H16 B N -","- C40 H64 B4 N4 -","4","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.0549","0.0427","","","0.0935","0.1045","","","","","","1.134","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213131","8.201","0.002","9.792","0.003","16.905","0.006","90","","90","","90","","1357.5","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B N Si -","- C12 H22 B N Si -","- C48 H88 B4 N4 Si4 -","4","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.041","0.0361","","","0.0822","0.086","","","","","","1.13","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213132","9.877","0.004","10.076","0.005","13.669","0.009","90","","90","","90","","1360.3","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B N Si -","- C12 H22 B N Si -","- C48 H88 B4 N4 Si4 -","4","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.0643","0.0563","","","0.134","0.143","","","","","","1.03","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213133","8.639","0.003","7.619","0.004","9.731","0.004","90","","97.22","0.03","90","","635.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 I N -","- C12 H18 I N -","- C24 H36 I2 N2 -","2","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.0127","0.0125","","","0.0317","0.0318","","","","","","1.085","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213134","5.3646","0.0005","13.6245","0.0014","22.377","0.002","90","","90","","90","","1635.5","0.3","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N O -","- C11 H7 N O -","- C88 H56 N8 O8 -","8","1","","McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth","Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2047","","10.1039/a904885e","","","1.54178","CuKα","","0.0442","0.0357","","0.0964","0.0906","","","","1.026","1.063","1.063","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213135","13.055","0.004","5.5116","0.0014","21.84","0.005","90","","90","","90","","1571.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C80 H48 N16 O8 -","8","2","","McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth","Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2047","","10.1039/a904885e","","","1.54178","CuKα","","0.0411","0.0343","","","0.0866","0.0909","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213138","31.695","0.002","31.695","0.002","7.7985","0.0007","90","","90","","120","","6784.6","0.9","296.7","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C360 H288 N36 -","18","1","","Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi","8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3677","","10.1039/a905161i","","","0.7107","MoKα","","0.044","0.044","","","0.041","0.041","","","2.1","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213139","21.343","0.003","20.316","0.002","7.5398","0.0007","90","","90","","90","","3269.3","0.6","296.7","","296.7","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","1","","Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi","8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3677","","10.1039/a905161i","","","0.7107","MoKα","","0.0367","0.0367","","0.0596","0.0466","0.0466","","","1.165","","","1.226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213140","12.291","0.004","11.696","0.002","13.693","0.003","90","0.013","96.95","0.02","90","0.02","1954","0.8","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H21 Cl O4 S -","- C20 H21 Cl O4 S -","- C80 H84 Cl4 O16 S4 -","4","1","","McCarthy, Daniel G.; Collins, Cornelius C.; O’Driscoll, Joan P.; Lawrence, Simon E.","Lewis acid mediated elimination and rearrangement reactions of α-chlorosulfides derived from phenylthio-substituted 4,5-dihydrofuran-3(2H )-ones.","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3667","","10.1039/a905169d","","","0.71069","MoKα","","0.0603","0.0355","","0.0968","0.0888","","","","1.034","1.164","1.164","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213141","5.9199","0.0019","16.419","0.005","18.436","0.005","90","","93.33","0.03","90","","1788.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","McCarthy, Daniel G.; Collins, Cornelius C.; O’Driscoll, Joan P.; Lawrence, Simon E.","Lewis acid mediated elimination and rearrangement reactions of α-chlorosulfides derived from phenylthio-substituted 4,5-dihydrofuran-3(2H )-ones.","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3667","","10.1039/a905169d","","","0.71069","MoKα","","0.1625","0.0605","","","0.1038","0.1221","","","","","","0.892","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213142","7.265","0.0006","12.408","0.002","14.529","0.002","90","","96.35","0.013","90","","1301.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","- C32 H56 N32 O16 -","4","1","","Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.","Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3507","","10.1039/a905336k","","","0.7093","","","0.0615","0.0404","","0.1836","0.1489","","","","1.244","1.391","1.391","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213143","24.513","0.002","24.513","0.002","7.035","0.001","90","","90","","90","","4227.2","0.8","293","2","293","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C10 H8 N8 -","- C10 H8 N8 -","- C160 H128 N128 -","16","1","","Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.","Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3507","","10.1039/a905336k","","","0.71069","MoKα","","0.0664","0.0427","","0.1024","0.0907","","","","1.092","1.142","1.142","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7213144","15.959","0.003","11.37","0.002","8.974","0.001","90","","102.82","0.01","90","","1587.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br2 N8 -","- C12 H12 Br2 N8 -","- C48 H48 Br8 N32 -","4","0.5","","Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.","Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3507","","10.1039/a905336k","","","0.71069","MoKα","","0.1044","0.0674","","0.1678","0.1566","","","","1.231","1.452","1.452","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213153","12.69","0.02","12.69","0.02","29.55","0.05","90","","90","","90","","4759","13","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H23 Cr O4 P Si -","- C24 H23 Cr O4 P Si -","- C192 H184 Cr8 O32 P8 Si8 -","8","1","","Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.","The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3177","","10.1039/a905610f","","","0.71073","MoKα","","0.0877","0.0536","","","0.095","0.1081","","","","","","1.16","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213154","10.82","0.002","11.206","0.002","14.618","0.002","75.33","0.02","86.12","0.02","78.6","0.02","1680.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 Cr O4 P -","- C28 H21 Cr O4 P -","- C56 H42 Cr2 O8 P2 -","2","1","","Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.","The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3177","","10.1039/a905610f","","","0.71073","MoKα","","0.0568","0.0468","","","0.109","0.115","","","","","","1.12","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213155","6.581","0.006","8.758","0.009","10.333","0.008","90","","93.88","0.08","90","","594.2","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Cr O3 S -","- C12 H10 Cr O3 S -","- C24 H20 Cr2 O6 S2 -","2","1","","Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.","The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3177","","10.1039/a905610f","","","0.71073","MoKα","","0.0287","0.0283","","","0.0777","0.0785","","","","","","1.127","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213156","7.19","0.008","8.08","0.004","12.279","0.012","90","","102.4","0.09","90","","696.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri","cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3499","","10.1039/a905701c","","","0.71069","MoKα","","0.2322","0.0775","","","0.181","0.2392","","","","","","0.973","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213157","13.465","0.003","12.608","0.004","14.504","0.003","90","","116.85","0.03","90","","2196.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 N4 O3 -","- C24 H30 N4 O2.5 -","- C96 H120 N16 O10 -","4","1","","Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri","cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3499","","10.1039/a905701c","","","0.71069","MoKα","","0.1005","0.0494","","","0.1304","0.1505","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213158","9.785","0.001","27.604","0.003","10.306","0.001","90","0.02","91.55","0.02","90","0.02","2782.7","0.5","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N4 Ni O8 -","- C24 H36 Cl2 N4 Ni O8 -","- C96 H144 Cl8 N16 Ni4 O32 -","4","1","","Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri","cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3499","","10.1039/a905701c","","","0.71073","Mo-Kα","","0.246","0.054","","0.396","","0.061","","","8.999","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213162","14.95","0.009","8.946","0.002","17.391","0.004","90","","90.49","0.03","90","","2325.8","1.6","570","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O3 S -","- C26 H24 N2 O3 S -","- C104 H96 N8 O12 S4 -","4","1","","Bennett, Simon M. W.; Brown, Stephen M.; Conole, Gráinne; Dennis, Michael R.; Fraser, Paul K.; Radojevic, Sanja; McPartlin, Mary; Topping, Chris M.; Woodward, Simon","Catalytic conjugate addition promoted by the copper(I)-monothiobinaphthol system. Part 3. Comparison of three thiolate-based catalytic systems","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3127","","10.1039/a906373k","","","0.71073","MoKα","","0.1885","0.0747","","","0.1387","0.1749","","","","","","0.939","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213163","10.237","0.002","10.977","0.002","13.598","0.003","100.67","0.03","109.1","0.03","90.4","0.03","1415.2","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H41 F3 O2 Si5 -","- C20 H41 F3 O2 Si5 -","- C40 H82 F6 O4 Si10 -","2","1","","Berry, Malcolm B.; Griffiths, Russell J.; Howard, Judith A. K.; Leech, Michael A.; Steel, Patrick G.; Yufit, Dmitrii S.","Reactions of acylpolysilanes with silyl Lewis acids","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3645","","10.1039/a906377c","","","0.71073","MoKα","","0.0378","0.0316","","","0.0847","0.0903","","","","","","1.042","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213164","11.4859","0.0008","9.025","0.001","16.407","0.001","90","","96.647","0.006","90","","1689.3","0.2","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 S2 -","- C18 H18 N2 O2 S2 -","- C72 H72 N8 O8 S8 -","4","1","","Koizumi, Toshio; Bashir, Nadeem; Kennedy, Alan R.; Murphy, John A.","Diazadithiafulvalenes as electron donor reagents","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3637","","10.1039/a906684e","","","0.71069","MoKalpha","","0.1221","0.0471","","0.0653","0.057","","","","","1.57","1.57","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213165","11.639","0.004","6.617","0.004","13.03","0.008","90","","92.439","0.004","90","","1002.6","0.9","298","","298","","","","","","","","see paper","5","P 1 21 1","P 2yb","4","","","","- C21 H24 I N O2 -","- C21 H24 I N O2 -","- C42 H48 I2 N2 O4 -","2","1","","Davies, Stephen G.; Smyth, G. Darren; Chippindale, Ann M.","Syntheses of derivatives of L-daunosamine and its C-3 epimer employing as the key step the asymmetric conjugate addition of a homochiral lithium amide to tert-butyl (E,E )-hexa-2,4-dienoate","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3089","","10.1039/a907017f","","","0.71073","MoKα","","","0.0266","","","0.0293","","","","","1.0983","1.0983","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213166","8.886","0.004","13.659","0.006","10.369","0.006","90","","98.05","0.04","90","","1246.1","1.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alboatrin","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Graham, Stephen R.; Murphy, John A.; Kennedy, Alan R.","Hypophosphite mediated carbon‒carbon bond formation: total synthesis of epialboatrin and structural revision of alboatrin","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3071","","10.1039/a907032j","","","0.71069","MoKα","","0.0868","0.0528","","","0.1335","0.1495","","","","","","1.034","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213167","6.341","0.001","11.558","0.001","21.415","0.004","90","","90","","90","","1569.5","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(tropan-3-yl)-1-para-methoxyphenyl-1-ethanone hydrochloride","","- C17 H24 Cl N O2 -","- C17 H24 Cl N O2 -","- C68 H96 Cl4 N4 O8 -","4","1","","Tavasli, Mustafa; O’Hagan, David; Batsanov, Andrei S.; Foxon, Graham R.; Halliwell, Robert F.; Howard, Judith A. K.","The synthesis, conformation and antimuscarinic properties of ketone analogues of tropane esters","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3455","","10.1039/a907130j","","","0.71073","MoKα","","0.0481","0.037","","","0.0806","0.0855","","","","","","1.056","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213168","18.514","0.002","7.606","0.002","12.166","0.001","90","","105.58","0.01","90","","1650.2","0.5","293.2","","293.2","","","","","","","","-","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Hunt, James C. A.; Lloyd, Cephas; Moody, Christopher J.; Slawin, Alexandra M. Z.; Takle, Andrew K.","Chiral oxime ethers in asymmetric synthesis. Part 4. Asymmetric synthesis of N-protected amines and β-amino acids by the addition of organometallic reagents to ROPHy/SOPHy-derived aldoximes","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3443","","10.1039/a907186e","","","1.5418","CuKα","","0.0465","0.0465","","0.0352","","0.0352","","","4.502","","","4.502","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213169","9.087","0.003","7.841","0.004","10.648","0.003","90","","111.95","0.02","90","","703.7","0.5","293.2","","293.2","","","","","","","","-","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C28 H32 N4 O2 S2 -","2","1","","Hunt, James C. A.; Lloyd, Cephas; Moody, Christopher J.; Slawin, Alexandra M. Z.; Takle, Andrew K.","Chiral oxime ethers in asymmetric synthesis. Part 4. Asymmetric synthesis of N-protected amines and β-amino acids by the addition of organometallic reagents to ROPHy/SOPHy-derived aldoximes","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3443","","10.1039/a907186e","","","1.5418","CuKα","","0.0386","0.0386","","0.0254","","0.0254","","","2.836","","","2.836","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213170","11.761","0.002","19.813","0.003","23.024","0.003","90","","90","","90","","5365.1","1.4","295","2","295","2","","","","","","","See manuscript","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 O3 P Si -","- C29 H35 O3 P Si -","- C232 H280 O24 P8 Si8 -","8","1","","Feeder, Neil; Hutton, Gordon; Nelson, Adam; Warren, Stuart","Stereoselective intramolecular acylation of γ′-benzoyloxyphosphine oxides with an internal chlorotrimethylsilane trap: isolation of silylated tetrahedral intermediates","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3413","","10.1039/a907320e","","","0.71073","MoKα","","0.1928","0.0558","","0.1692","0.1123","","","","0.967","1.084","1.084","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213171","18.753","0.004","8.349","0.002","18.019","0.004","90","","111.75","0.03","90","","2620.4","1.2","295","2","295","2","","","","","","","See manuscript","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 O3 P Si -","- C27 H33 O3 P Si -","- C108 H132 O12 P4 Si4 -","4","1","","Feeder, Neil; Hutton, Gordon; Nelson, Adam; Warren, Stuart","Stereoselective intramolecular acylation of γ′-benzoyloxyphosphine oxides with an internal chlorotrimethylsilane trap: isolation of silylated tetrahedral intermediates","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3413","","10.1039/a907320e","","","0.71073","MoKα","","0.0947","0.0449","","0.1305","0.1102","","","","1.032","1.133","1.133","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213175","37.76","0.04","5.74","0.006","10.91","0.012","90","","98.24","0.01","90","","2340","4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Hodgson, David M.; Gibbs, Andrew R.; Drew, Michael G. B.","Mechanism and applications of lithium amide-induced asymmetric rearrangements of 4-substituted and 4,4-disubstituted cyclopentene oxides to cyclopentenols","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3579","","10.1039/a907522d","","","0.71073","MoKα","","0.0923","0.0737","","","0.1831","0.2048","","","","","","1.012","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213190","14.427","0.006","15.199","0.006","7.498","0.003","98.72","0.03","99.51","0.03","106.61","0.03","1519.1","1.1","296","","296","","","","","","","","","4","P -1","-P 1","2","4-(N-Hexylbenz[c,d]indolinylidenemethyl)-2- (4-julolidinyl)-3-cyclobutene-1,3-dione","","","- C37 H39 N2 O3 -","- C37 H39 N2 O3 -","- C74 H78 N4 O6 -","2","1","","Yagi, Shigeyuki; Hyodo, Yutaka; Matsumoto, Shinya; Takahashi, Naoki; Kono, Hiroshi; Nakazumi, Hiroyuki","Synthesis of novel unsymmetrical squarylium dyes absorbing in the near-infrared region †","Journal of the Chemical Society, Perkin Transactions 1","2000","","4","599","","10.1039/a907335c","","","0.7107","MoKalpha","","0.127","0.127","","0.095","0.095","","","","2.67","","","","","","","has coordinates","295835","2024-11-08","15:48:26",""
"7213193","21.094","0.002","5.6478","0.0006","21.496","0.002","90","","90","","90","","2560.9","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,3,5,6-tetrakis(benzoyl)thiopyran-4-thione","","- C33 H20 O4 S2 -","- C33 H20 O4 S2 -","- C132 H80 O16 S8 -","4","1","","Jeppesen, Jan Oskar; Thorup, Niels; Becher, Jan","A novel thiopyran-4-thione synthesis and crystal structure of a thiopyran-4-thione","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1467","","10.1039/a908068f","","","0.71073","MoKα","","0.0394","0.0362","","","0.0865","0.0878","","","","","","1.089","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213194","5.7212","0.0004","11.5757","0.0016","28.177","0.004","90","","90","","90","","1866.1","0.4","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 F N O2 P -","- C21 H21 F N O2 P -","- C84 H84 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0887","0.0521","","","0.1049","0.1171","","","","","","1.004","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213195","11.8451","0.0005","27.3815","0.0019","6.0985","0.0008","90","","90","","90","","1978","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H23 F N O2 P -","- C23 H23 F N O2 P -","- C92 H92 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.1102","0.0552","","","0.0949","0.108","","","","","","0.952","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213196","5.7208","0.0002","11.2412","0.0008","24.5839","0.0015","90","","90","","90","","1580.96","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N O2 P -","- C17 H19 F N O2 P -","- C68 H76 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0717","0.0452","","","0.0924","0.1","","","","","","0.949","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213197","6.6666","0.0004","12.1266","0.0005","11.6697","0.0006","90","","96.744","0.003","90","","936.89","0.08","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 F N O2 P -","- C21 H21 F N O2 P -","- C42 H42 F2 N2 O4 P2 -","2","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0393","0.0328","","","0.0771","0.08","","","","","","1.05","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213198","12.2726","0.0002","24.9928","0.0003","6.6447","0.0007","90","","90","","90","","2038.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H23 F N O2 P -","- C23 H23 F N O2 P -","- C92 H92 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0473","0.0354","","","0.0766","0.0796","","","","","","1.052","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213199","9.9593","0.0007","6.5312","0.0003","12.2863","0.0009","90","","92.346","0.003","90","","798.51","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 F N O2 P -","- C17 H19 F N O2 P -","- C34 H38 F2 N2 O4 P2 -","2","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0416","0.0366","","","0.0915","0.0937","","","","","","1.034","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213207","9.5471","0.0007","14.619","0.001","11.4954","0.0008","90","","97.993","0.005","90","","1588.82","0.19","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14.5 H14 Cl N3 O4 -","- C14.5 H15 Cl N3 O4 -","- C58 H60 Cl4 N12 O16 -","4","1","","Murashima, Takashi; Tamai, Ryuji; Nishi, Keiji; Nomura, Kentaroh; Fujita, Ken-ichi; Uno, Hidemitsu; Ono, Noboru","Synthesis and X-ray structure of stable 2H-isoindoles","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","995","","10.1039/a908641b","","","1.5418","CuKα","","0.0804","0.08","","0.075","","0.075","","","2.896","","","2.9","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213216","14.056","0.003","13.921","0.003","18.25","0.004","90","","90","","90","","3571","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1-(2'-Difluoroboryloxy-4'-methoxyphenyl)-2-(4""-methoxyphenyl)-3- (N,N'-dimethyl)]-2-propen-1-dione","","- C19 H20 B F2 N O4 -","- C19 H20 B F2 N O4 -","- C152 H160 B8 F16 N8 O32 -","8","1","","Balasubramanian, Sreenivasan; Ward, Donald L.; Nair, Muraleedharan G.","The first isolation and crystal structure of a boron difluoro complex (isoflavone yellow). Biologically active intermediates produced during isoflavone synthesis","Journal of the Chemical Society, Perkin Transactions 1","2000","","4","567","","10.1039/a908915b","","","0.71073","MoKα","","0.0704","0.0494","","","0.0877","0.0947","","","","","","1.152","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213221","11.8635","0.0008","13.2643","0.0009","18.9431","0.0014","90","","90","","90","","2980.9","0.4","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C160 H144 N16 -","8","1","","Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.","Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1139","","10.1039/a909516k","","","1.5418","CuKα","","0.05","0.046","","","0.1161","0.1189","","","","","","1.113","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213222","18.699","0.002","22.045","0.002","6.898","0.002","90","","90","","90","","2843.5","0.9","220","2","220","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C20 H18 -","- C20 H18 -","- C160 H144 -","8","1","","Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.","Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1139","","10.1039/a909516k","","","1.54184","CuKα","","0.1163","0.0563","","0.1468","0.1182","","","","1.006","1.111","1.111","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213223","17.081","0.002","7.0507","0.0008","16.116","0.002","90","","112.113","0.006","90","","1798.1","0.4","220","","220","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.","Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1139","","10.1039/a909516k","","","1.5418","CuKα","","","0.0451","","","0.0475","","","","","1.1246","1.1246","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213224","9.479","0.002","10.342","0.001","15.374","0.002","94.17","0.01","99.43","0.02","91.32","0.02","1481.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl N-(phenylmethyl)-N-[2'-phenyl-2'-(p-nitrobenzoyloxy)ethyl] (amino)(phenyl)methylphosphonate","","- C31 H31 N2 O7 P -","- C31 H31 N2 O7 P -","- C62 H62 N4 O14 P2 -","2","1","","Wróblewski, Andrzej E.; Maniukiewicz, Waldemar; Karolczak, Wiesława","Unusual reactivity of cis-2-benzoyl-1-benzyl-3-phenylaziridine with P-nucleophiles—ring opening vs. the Abramov reaction","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1433","","10.1039/a909521g","","","1.54178","CuKα","","0.0763","0.0546","","","0.1528","0.1736","","","","","","1.006","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213225","6.116","0.001","16.34","0.002","22.124","0.004","90","","90","","90","","2211","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R^*^2'R^*^3'S^*^)-(hydroxy)(phenyl)[3'-phenyl-1'-(phenylmethyl)- -2'-aziridinyl]methylphosphonate","","- C24 H26 N O4 P -","- C24 H26 N O4 P -","- C96 H104 N4 O16 P4 -","4","1","","Wróblewski, Andrzej E.; Maniukiewicz, Waldemar; Karolczak, Wiesława","Unusual reactivity of cis-2-benzoyl-1-benzyl-3-phenylaziridine with P-nucleophiles—ring opening vs. the Abramov reaction","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1433","","10.1039/a909521g","","","1.54178","CuKα","","0.0581","0.035","","","0.0996","0.1127","","","","","","1.042","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213227","6.365","0.004","6.829","0.003","8.949","0.005","71.54","0.04","82.58","0.06","89.22","0.05","365.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2R,2'S-trans-1,4-bis(2H-hexafluoropropyl)cyclohexane","","- C12 H12 F12 -","- C12 H12 F12 -","- C12 H12 F12 -","1","0.5","","Chambers, Richard D.; Fuss, Robert W.; Spink, Robert C. H.; Greenhall, Martin P.; Kenwright, Alan M.; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 10. Addition of acyclic and cyclic alkanes to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1623","","10.1039/a909777e","","","0.71073","MoKα","","0.0945","0.0373","","0.1181","0.0938","","","","1.071","1.184","1.184","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213228","11.442","0.008","14.992","0.014","15.011","0.01","90","","90","","90","","2575","3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3,5,7-tetrakis(2H-hexafluoropropyl)adamantane","","- C22 H16 F24 -","- C22 H14 F24 -","- C88 H56 F96 -","4","0.5","","Chambers, Richard D.; Fuss, Robert W.; Spink, Robert C. H.; Greenhall, Martin P.; Kenwright, Alan M.; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 10. Addition of acyclic and cyclic alkanes to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1623","","10.1039/a909777e","","","0.71073","MoKα","","0.1636","0.119","","","0.3075","0.357","","","","","","1.026","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213229","15.006","0.013","7.217","0.004","6.223","0.005","90","","102.74","0.07","90","","657.3","0.9","150","2","150","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","trans-1,4-bis(Z-pentafluoroprop-2-enyl)cyclohexane","","- C12 H10 F10 -","- C12 H10 F10 -","- C24 H20 F20 -","2","0.25","","Chambers, Richard D.; Fuss, Robert W.; Spink, Robert C. H.; Greenhall, Martin P.; Kenwright, Alan M.; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 10. Addition of acyclic and cyclic alkanes to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1623","","10.1039/a909777e","","","0.71073","MoKα","","0.0575","0.0441","","0.1142","0.1084","","","","1.069","1.132","1.132","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213230","6.374","0.001","21.313","0.005","7.328","0.002","90","","95.864","0.01","90","","990.3","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trans-cyclohexane-1,4-diol","","- C6 H12 O2 -","- C6 H12 O2 -","- C36 H72 O12 -","6","1.5","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","0.71073","MoKα","","0.0847","0.0478","","0.1127","0.0876","","","","1.119","1.179","1.179","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213231","12.651","0.001","10.436","0.001","22.301","0.002","90","","103.69","0.01","90","","2860.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-1,3-di-(2H-hexafluoropropyl)-cyclopentane-1,3-diol","trans-1,3-di(1,1,2,3,3,3-hexafluoropropyl)-cyclopentane-1,3-diol","","- C11 H10 F12 O2 -","- C11 H9.9615 F12 O2 -","- C88 H79.692 F96 O16 -","8","2","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","0.71073","MoKα","","0.1832","0.0944","","0.2028","0.15","","","","1.123","1.293","1.293","","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213232","10.59","0.002","39.347","0.003","15.135","0.005","90","","94.6","0.01","90","","6286","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-1,3-di(2H-hexafluoropropyl)-cyclohexane-1,3-diol","cis-1,3-di(1,1,2,3,3,3-hexafluoropropyl)-cyclohexane-1,3-diol","","- C12 H12 F12 O2 -","- C12 H10.5 F12 O2 -","- C192 H168 F192 O32 -","16","4","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","0.71073","MoKα","","0.214","0.1416","","0.378","0.3052","","","","1.17","1.346","1.346","","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213233","14.6732","0.0016","10.8011","0.0019","18.8818","0.0017","90","","90.904","0.008","90","","2992.1","0.7","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","trans-1,4-di(1,1,2,3,3,3-hexafluoropropyl)-cyclohexane-1,4-diol","","- C12 H12 F12 O2 -","- C12 H11.75 F12 O2 -","- C96 H94 F96 O16 -","8","4","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","1.54184","CuKα","","0.1844","0.137","","","0.3101","0.341","","","","","","2.121","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213234","10.709","0.004","10.853","0.003","13.926","0.004","106.98","0.01","99.83","0.02","91.33","0.01","1520.7","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","trans-1,4-di-(1,1,2,3,3,3-hexafluoropropyl)-cyclohexane-1,4-diol aldol (3:2)","","- C48 H60 F36 O10 -","- C48 H59.242 F36 O10 -","- C48 H59.242 F36 O10 -","1","0.5","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","0.71073","MoKα","","0.1363","0.0939","","","0.1996","0.2403","","","","","","1.183","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213235","11.094","0.002","28.75","0.002","5.363","0.003","90","","90","","90","","1710.5","1","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Russell, Michael G. N.; Baker, Raymond; Ball, Richard G.; Thomas, Steven R.; Tsou, Nancy N.; Castro, José L.","Asymmetric synthesis of the northern segment of ephedradine C","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","893","","10.1039/a909816j","","","1.54184","CuKα","","","0.0446","","","0.156","","","","","1.168","1.168","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213236","11.799","0.004","25.651","0.006","7.991","0.006","90","","90","","90","","2419","2","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C96 H116 N4 O28 -","4","1","","Russell, Michael G. N.; Baker, Raymond; Ball, Richard G.; Thomas, Steven R.; Tsou, Nancy N.; Castro, José L.","Asymmetric synthesis of the northern segment of ephedradine C","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","893","","10.1039/a909816j","","","1.54184","CuKα","","","0.069","","","0.166","","","","","1.272","1.272","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213247","12.2879","0.0019","13.883","0.003","11.625","0.002","111.965","0.014","106.941","0.015","90.328","0.017","1744.6","0.6","170.2","","170.2","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O2 S -","- C19 H26 O2 S -","- C76 H104 O8 S4 -","4","2","","Yadav, Veejendra K.; Jeyaraj, Duraiswamy A.; Parvez, Masood","The suitability of anion-accelerated oxy-Cope rearrangement as a probe to study π-facial selectivity. An experimental study with (6-methyl-1-oxa-4-thiaspiro[4.5]dec-6-en-7-yl)(allyl)methanols †","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1423","","10.1039/a909839i","","","0.7107","MoKα","","0.0499","0.0499","","0.0489","0.0489","","","","1.896","1.896","1.896","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213249","5.4023","0.0001","11.5582","0.0003","12.6662","0.0003","66.521","0.001","79.97","0.001","88.055","0.001","713.77","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Disodium salt of5-N-sulfinohydroxylamino-2-pyridinesulfonic acid ?","","- C5 H11.5 N2 Na2 O11 S2 -","- C5 H11 N2 Na2 O11 S2 -","- C10 H22 N4 Na4 O22 S4 -","2","1","","Bakke, Jan M.; Ranes, Eli; Rømming, Christian; Sletvold, Ingrid","The reaction of 3-nitropyridine with sulfite ions; a pathway to 2,5-disubstituted pyridines","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1241","","10.1039/a909875e","","","0.71073","MoKα","","0.0465","0.0328","","","0.0796","0.0846","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213250","9.824","0.002","13.368","0.002","22.34","0.006","90","","90","","90","","2933.9","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N O9 Si -","- C23 H43 N O9 Si -","- C92 H172 N4 O36 Si4 -","4","1","","Kocienski, Philip; Narquizian, Robert; Raubo, Piotr; Smith, Christopher; Farrugia, Louis J.; Muir, Kenneth; Boyle, F. Thomas","Synthetic studies on the pederin family of antitumour agents. Syntheses of mycalamide B, theopederin D and pederin","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2357","","10.1039/a909898d","","","0.71073","MoKα","","0.1277","0.0825","","","0.228","0.2709","","","","","","1.044","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213251","8.5035","0.0005","10.0704","0.0009","17.6777","0.0006","90","","103.768","0.003","90","","1470.31","0.17","291","2","291","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C29 H39 N O7 Se -","- C29 H39 N O7 Se -","- C58 H78 N2 O14 Se2 -","2","1","","Kocienski, Philip; Narquizian, Robert; Raubo, Piotr; Smith, Christopher; Farrugia, Louis J.; Muir, Kenneth; Boyle, F. Thomas","Synthetic studies on the pederin family of antitumour agents. Syntheses of mycalamide B, theopederin D and pederin","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2357","","10.1039/a909898d","","","0.71073","MoKα","","0.1014","0.0361","","","0.0626","0.0774","","","","","","1.001","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213253","8.932","0.002","9.67","0.003","10.105","0.002","100.95","0.02","105.61","0.02","106.37","0.02","772.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,11-dibenzoyl-6,13dimethyl-7,14-dioxo-2,10-diphenyl-1,9-dioxa- 2,6,10,13-tetraazaspiro[4.2.2.4]tetradecane","","- C36 H32 N4 O6 -","- C36 H32 N4 O6 -","- C36 H32 N4 O6 -","1","0.5","","Rigolet, Séverinne; Mélot, Jean Marie; Vébrel, Joel; Chiaroni, Angèle; Riche, Claude","The reaction of α- and ω-methylenelactams with nitrones. Influence of electronic and geometric factors on the stereoselectivity of their 1,3-dipolar cycloaddition","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1095","","10.1039/b000129p","","","1.5418","CuKα","","0.0722","0.0505","","0.1454","","0.1276","","","1.046","","","1.078","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213254","12.4467","0.0014","11.4978","0.0007","19.0943","0.0018","90","","125.34","0.007","90","","2229.1","0.4","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","Bridged (beta-alkoxyalkyl)Co(III)salen","","","- C23 H27 Cl2 Co N2 O4 -","- C23 H27 Cl2 Co N2 O4 -","- C92 H108 Cl8 Co4 N8 O16 -","4","1","","Blaauw, Rolf; Kingma, Irene E.; Laan, Jan H.; van der Baan, Juul L.; Balt, Sijbe; de Bolster, Martinus W. G.; Klumpp, Gerhard W.; Smeets, Wilberth J. J.; Spek, Anthony L.","Bridged (β-alkoxyalkyl)CoIII(salen) complexes by intramolecular alkoxycobaltation of unactivated alkenes: new models for coenzyme B12","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1199","","10.1039/b000196l","","","0.71073","MoKα","","0.1424","0.0655","","","0.1062","0.1327","","","","","","1.017","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213257","15.857","0.003","17.205","0.002","13.287","0.002","90","","90","","90","","3625","1","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl4 O4 -","- C14 H18 Cl4 O4 -","- C112 H144 Cl32 O32 -","8","1","","Ohkita, Masakazu; Sano, Kieko; Dohba, Sotoyuki; Fujita, Yuko; Suzuki, Takanori; Tsuji, Takashi","A 2,3,5,6-tetramethylenebicyclo[2.2.0]hexane derivative: a novel bisdiene molecule that produces a Dewar benzene skeleton upon two successive Diels‒Alder reactions with dienophiles","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1971","","10.1039/b000569j","","","0.7107","MoKα","","0.043","0.043","","","0.0547","0.0547","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213258","11.419","0.0008","11.0908","0.0005","17.519","0.002","90","","90.025","0.003","90","","2218.7","0.3","203","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ohkita, Masakazu; Sano, Kieko; Dohba, Sotoyuki; Fujita, Yuko; Suzuki, Takanori; Tsuji, Takashi","A 2,3,5,6-tetramethylenebicyclo[2.2.0]hexane derivative: a novel bisdiene molecule that produces a Dewar benzene skeleton upon two successive Diels‒Alder reactions with dienophiles","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1971","","10.1039/b000569j","","","0.7107","MoKα","","","0.0619","","","","0.0769","","","","","","1.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213259","20.672","0.002","10.8482","0.0009","8.7192","0.0009","90","","104.683","0.007","90","","1891.5","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H18 O4 S3 -","- C19 H18 O4 S3 -","- C76 H72 O16 S12 -","4","1","","Di Vitta, Claudio; de Arruda Campos, Ivan P.; Farah, João P. S.; Zukerman-Schpector, Júlio","New reductive addition of hard nucleophiles to 6,7-bis(methylsulfanyl)-1,4-dihydro-1,4-methanonaphthalene-5,8-dione","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3692","","10.1039/b000575o","","","0.71073","MoKα","","0.1001","0.055","","","0.1261","0.1563","","","","","","1.148","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213260","7.6743","0.0009","24.817","0.004","10.629","0.001","90","","101.216","0.009","90","","1985.7","0.4","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Beddoes, Roy L.; Helliwell, Madeleine","Atroposelective attack of nucleophiles and electrophiles on 2-acyl-1-naphthamides and their enolates","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1351","","10.1039/b000668h","","","0.7107","MoKα","","","0.0508","","","0.0502","","","","","2.574","2.574","","","","","has coordinates","209480","2020-10-21","18:00:00",""
"7213261","12.404","0.001","19.6149","0.0008","16.222","0.002","90","","90","","90","","3946.9","0.6","293.2","","293.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C168 H232 N8 O16 -","8","1","","Clayden, Jonathan; Westlund, Neil; Beddoes, Roy L.; Helliwell, Madeleine","Atroposelective attack of nucleophiles and electrophiles on 2-acyl-1-naphthamides and their enolates","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1351","","10.1039/b000668h","","","1.5418","CuKα","","0.0844","0.0569","","0.0468","0.0454","","","","2.669","3.098","3.098","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"7213262","10.1424","0.0014","16.7857","0.0013","10.7011","0.0015","90","","114.446","0.009","90","","1658.5","0.4","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RWX0225/Wilson/Ref. NW-AO45-1/29-7-96.","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Clayden, Jonathan; McCarthy, Catherine; Westlund, Neil; Frampton, Christopher S.","Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1363","","10.1039/b000669f","","","0.71069","MoKα","","0.0562","0.0372","","","0.095","0.1036","","","","","","1.01","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213263","11.4254","0.0004","20.1558","0.0006","16.4936","0.0005","90","","99.506","0.001","90","","3746.1","0.2","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RWX0441/Wilson/NW-G058/5107/24-4-97.","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C168 H216 N8 O16 -","8","2","","Clayden, Jonathan; McCarthy, Catherine; Westlund, Neil; Frampton, Christopher S.","Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1363","","10.1039/b000669f","","","0.71073","MoKα","","0.049","0.0383","","","0.1016","0.1078","","","","","","1.007","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213264","16.219","0.003","11.966","0.003","18.823","0.003","90","","90","","90","","3653.1","1.3","123","1","123","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","RWX0315/Wilson/NW-G012/5107/16-7-98.","","","- C20 H28 N2 O -","- C20 H28 N2 O -","- C160 H224 N16 O8 -","8","1","","Clayden, Jonathan; McCarthy, Catherine; Westlund, Neil; Frampton, Christopher S.","Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1363","","10.1039/b000669f","","","0.71073","MoKα","","0.0473","0.0394","","","0.0965","0.1014","","","","","","1","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213265","9.358","0.002","11.813","0.003","9.917","0.003","90","","114.44","0.02","90","","998.1","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","RWX0255/Wilson/NW-C083/5107/24-4-97.","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C48 H54 N2 O4 -","2","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.","Atropisomeric diastereoisomers from nucleophilic attack on 8-acyl-1-naphthamides","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1379","","10.1039/b000670j","","","0.71073","MoKα","","0.0279","0.0274","","","0.0726","0.0734","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213269","25.868","0.002","7.826","0.001","18.105","0.002","90","","90","","90","","3665.2","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H19 N2 O3.5 -","- C23 H19 N2 O3.5 -","- C184 H152 N16 O28 -","8","1","","Kumar, Subodh; Hundal, Geeta; Paul, Dharam; Hundal, Maninder Singh; Singh, Harjit","Heterocalixarenes. Part 4. Synthesis of oxocalix[1]heterocycle[2]arenes: a unique H-bonding network in calix[1]benzimidazol-2-one[2]arene· 1/2 H2O †","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2295","","10.1039/b000832j","","","0.71073","MoKα","","0.0833","0.0473","","0.2025","0.1327","","","","1.023","1.082","1.082","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213270","12.259","0.002","8.865","0.001","15.943","0.002","90","","110.46","0.01","90","","1623.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Kumar, Subodh; Hundal, Geeta; Paul, Dharam; Hundal, Maninder Singh; Singh, Harjit","Heterocalixarenes. Part 4. Synthesis of oxocalix[1]heterocycle[2]arenes: a unique H-bonding network in calix[1]benzimidazol-2-one[2]arene· 1/2 H2O †","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2295","","10.1039/b000832j","","","0.71073","MoKα","","0.0639","0.0423","","0.1308","0.1137","","","","1.026","1.084","1.084","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213271","6.0101","0.0011","11.636","0.002","14.551","0.003","80.22","0.02","81.78","0.02","88.121","0.015","992.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 Fe O -","- C24 H32 Fe O -","- C48 H64 Fe2 O2 -","2","1","","Carroll, Michael A.; White, Andrew J. P.; Widdowson, David A.; Williams, David J.","Efficient regio- and diastereo-controlled synthesis of 1,1′- and 1,1′,2,2′-functionalised ferrocenes and the formation of 2-oxa[3]ferrocenophanes","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1551","","10.1039/b000833h","","","1.54178","CuKα","","0.0511","0.038","","0.0905","0.0848","","","","1.018","1.054","1.054","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213272","5.864","0.002","28.331","0.011","12.241","0.003","90","","98.36","0.03","90","","2012","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Fe O -","- C24 H32 Fe O -","- C96 H128 Fe4 O4 -","4","1","","Carroll, Michael A.; White, Andrew J. P.; Widdowson, David A.; Williams, David J.","Efficient regio- and diastereo-controlled synthesis of 1,1′- and 1,1′,2,2′-functionalised ferrocenes and the formation of 2-oxa[3]ferrocenophanes","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1551","","10.1039/b000833h","","","1.54178","CuKα","","0.1332","0.0737","","0.1832","0.1434","","","","1.086","1.195","1.195","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213274","22.3915","0.0007","22.3915","0.0007","10.4686","0.0005","90","","90","","120","","4545.5","0.3","173","2","173","2","","","","","","","","3","P -3","-P 3","147","","","","- C34 H46 O3 -","- C34 H46 O3 -","- C204 H276 O18 -","6","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0853","0.048","","","0.1111","0.1325","","","","","","1.019","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213275","19.0851","0.0011","19.4641","0.0011","9.5618","0.0005","90","","90","","90","","3552","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H46 Br Cl3 O3 -","- C34 H45 Br O3 -","- C136 H180 Br4 O12 -","4","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0877","0.0778","","","0.1973","0.2042","","","","","","1.114","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213276","9.3103","0.0005","12.5249","0.0007","28.9201","0.0018","90","","90","","90","","3372.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Br Cl2 O2 -","- C34 H43 Br O2 -","- C136 H172 Br4 O8 -","4","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0577","0.0471","","","0.1054","0.1109","","","","","","1.059","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213277","10.2038","0.0006","13.5294","0.0008","14.9405","0.0009","96.034","0.001","94.077","0.001","110.752","0.001","1905","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H58 O6 -","- C40 H58 O6 -","- C80 H116 O12 -","2","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0939","0.0676","","","0.1667","0.1911","","","","","","1.054","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213278","11.1823","0.0006","12.6574","0.0007","12.8089","0.0007","103.779","0.001","108.435","0.001","111.672","0.001","1463.07","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 O3 -","- C34 H44 O3 -","- C68 H88 O6 -","2","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0556","0.0487","","","0.1296","0.1378","","","","","","1.034","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213279","20.9835","0.0014","10.8817","0.0007","27.2374","0.0017","90","","98.486","0.002","90","","6151.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62.67 H100.33 Li3 O7.67 -","- C62.68 H100.36 Li3 O7.67 -","- C250.72 H401.44 Li12 O30.68 -","4","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.2321","0.0882","","","0.1949","0.2676","","","","","","0.973","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213280","11.9562","0.0018","12.7398","0.0017","13.4304","0.0018","97.043","0.005","90.828","0.004","105.813","0.003","1951","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42.4 H54.8 O3.8 -","- C40 H50 O3 -","- C80 H100 O6 -","2","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.1241","0.0738","","","0.1752","0.2028","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213283","25.133","0.007","6.757","0.002","11.032","0.004","90","","105.44","0.02","90","","1805.9","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,7-pentafluorotricyclo[3.3.1.0^2,7^]non-3-eno-8,8-diol hemihydrate","","- C9 H8 F5 O2.5 -","- C9 H8 F5 O2.5 -","- C72 H64 F40 O20 -","8","1","","Batsanov, Andrei S.; Brooke, Gerald M.; Holling, Darren; Kenwright, Alan M.","Pyrolysis reactions of nonafluorobiphenyl-4-yl prop-2-enyl ether: a remarkable rearrangement reaction of an intramolecular Diels‒Alder product","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1731","","10.1039/b001356k","","","0.71073","MoKα","","0.045","0.0338","","","0.083","0.0883","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213284","10.047","0.0011","13.6137","0.0012","18.555","0.002","97.04","0.008","104.117","0.009","106.888","0.008","2303.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 O4 P -","- C26 H25 O4 P -","- C104 H100 O16 P4 -","4","2","","Schobert, Rainer; Siegfried, Sven; Nieuwenhuyzen, Mark; Milius, Wolfgang; Hampel, Frank","Selective C-acylation of CH-active dicarbonyl compounds with ketenylidenetriphenylphosphorane: syntheses and structures of 3-phosphoranylideneacyltetronic acids, 3-phosphoranylideneacyl-4-oxocoumarins, and 4-phosphoranylideneacylpyrazol-5-ones","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1723","","10.1039/b001541p","","","0.71073","MoKα","","0.083","0.0576","","","0.1504","0.1719","","","","","","0.954","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213285","25.351","0.003","12.9583","0.0012","16.409","0.002","90","","103.679","0.008","90","","5237.6","1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 O4 P -","- C31 H30 O4 P -","- C248 H240 O32 P8 -","8","1","","Schobert, Rainer; Siegfried, Sven; Nieuwenhuyzen, Mark; Milius, Wolfgang; Hampel, Frank","Selective C-acylation of CH-active dicarbonyl compounds with ketenylidenetriphenylphosphorane: syntheses and structures of 3-phosphoranylideneacyltetronic acids, 3-phosphoranylideneacyl-4-oxocoumarins, and 4-phosphoranylideneacylpyrazol-5-ones","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1723","","10.1039/b001541p","","","0.71073","MoKα","","0.1227","0.0611","","0.131","0.1073","","","","1.029","1.105","1.105","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213286","8.938","0.002","22.265","0.005","11.629","0.002","90","","95.56","0.03","90","","2303.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 O4 P -","- C29 H21 O4 P -","- C116 H84 O16 P4 -","4","1","","Schobert, Rainer; Siegfried, Sven; Nieuwenhuyzen, Mark; Milius, Wolfgang; Hampel, Frank","Selective C-acylation of CH-active dicarbonyl compounds with ketenylidenetriphenylphosphorane: syntheses and structures of 3-phosphoranylideneacyltetronic acids, 3-phosphoranylideneacyl-4-oxocoumarins, and 4-phosphoranylideneacylpyrazol-5-ones","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1723","","10.1039/b001541p","","","0.71073","MoKα","","0.0857","0.0469","","0.1303","0.1086","","","","1.053","1.084","1.084","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213287","9.263","0.001","11.217","0.001","11.839","0.001","77.81","0.01","89.5","0.01","82.39","0.01","1191.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N2 O4 P -","- C27 H25 N2 O4 P -","- C54 H50 N4 O8 P2 -","2","1","","Schobert, Rainer; Siegfried, Sven; Nieuwenhuyzen, Mark; Milius, Wolfgang; Hampel, Frank","Selective C-acylation of CH-active dicarbonyl compounds with ketenylidenetriphenylphosphorane: syntheses and structures of 3-phosphoranylideneacyltetronic acids, 3-phosphoranylideneacyl-4-oxocoumarins, and 4-phosphoranylideneacylpyrazol-5-ones","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1723","","10.1039/b001541p","","","0.71073","MoKα","","0.0605","0.0393","","0.0932","0.0835","","","","1.036","1.078","1.078","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213290","8.914","0.006","10.407","0.007","13.607","0.009","90","","95.68","0.05","90","","1256.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-endo-phenyl-1,2,3,4,6-pentafluoro-4-chloro- -bicyclo[4.1.0]hept-2-ene-5-one","","- C13 H6 Cl F5 O -","- C13 H6 Cl F5 O -","- C52 H24 Cl4 F20 O4 -","4","1","","Kovtonyuk, Vladimir N.; Kobrina, Ljubov S.; Gatilov, Yurij V.; Bagryanskaya, Irina Yu.; Fröhlich, Roland; Haufe, Günter","Reactions of polyfluorinated cyclohexadienones with diazoalkanes. Part 1. Formation of cyclopropanes from polyfluorinated cyclohexa-2,4-dienones with diazomethane and phenyldiazomethane","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1929","","10.1039/b001618g","","","1.54178","CuKα","","0.1177","0.0608","","","0.1399","0.1733","","","","","","1.018","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213291","11.205","0.001","13.755","0.001","7.725","0.001","90","","91.28","0.01","90","","1190.3","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl F5 O -","- C13 H6 Cl F5 O -","- C52 H24 Cl4 F20 O4 -","4","1","","Kovtonyuk, Vladimir N.; Kobrina, Ljubov S.; Gatilov, Yurij V.; Bagryanskaya, Irina Yu.; Fröhlich, Roland; Haufe, Günter","Reactions of polyfluorinated cyclohexadienones with diazoalkanes. Part 1. Formation of cyclopropanes from polyfluorinated cyclohexa-2,4-dienones with diazomethane and phenyldiazomethane","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1929","","10.1039/b001618g","","","0.71073","MoKα","","0.0603","0.0411","","","0.0939","0.1047","","","","","","1.037","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213301","10.04","0.001","12.331","0.001","12.675","0.001","90","","99.651","0.007","90","","1547","0.2","200","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Banwell, Martin; Edwards, Alison; Smith, Jason; Hamel, Ernest; Verdier-Pinard, Pascal","Convergent synthesis and preliminary biological evaluation of (±)-B-norrhazinal †","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1497","","10.1039/b001731k","","","0.71073","MoKα","","0.117","0.048","","0.064","0.05","0.051","","","1.393","1.15","1.15","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213302","12.6541","0.0002","12.6541","0.0002","9.2145","0.0002","90","","90","","90","","1475.48","0.05","150","2","150","2","","","","","","","","4","P 42","P 4c","77","","","","- C13 H22 N2 O4 -","- C13 H22 N2 O4 -","- C52 H88 N8 O16 -","4","1","","Hammer, Kristin; Wang, Jing; Falck-Pedersen, Mette Lene; Rømming, Christian; Undheim, Kjell","Stereoselectivity in the synthesis of conformationally constrained vicinally dihydroxylated cyclic α-amino acids","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1691","","10.1039/b001779p","","","0.71073","MoKα","","0.0581","0.0494","","","0.1155","0.1212","","","","","","1.071","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213303","9.7253","0.0002","8.7384","0.0002","10.9031","0.0002","90","","109.013","0.001","90","","876.03","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C32 H56 N4 O8 -","2","1","","Hammer, Kristin; Wang, Jing; Falck-Pedersen, Mette Lene; Rømming, Christian; Undheim, Kjell","Stereoselectivity in the synthesis of conformationally constrained vicinally dihydroxylated cyclic α-amino acids","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1691","","10.1039/b001779p","","","0.71073","MoKα","","0.0659","0.06","","","0.1684","0.1777","","","","","","1.084","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213304","7.176","0.001","17.805","0.004","20.947","0.004","90","","90","","90","","2676.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B.","Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2331","","10.1039/b001830i","","","0.71073","MoKα","","0.1387","0.0576","","","0.1218","0.1595","","","","","","0.815","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213305","8.831","0.002","11.534","0.002","13.182","0.003","90.34","0.03","92.49","0.03","90.79","0.03","1341.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","2","","Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B.","Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2331","","10.1039/b001830i","","","0.71073","MoKα","","0.0906","0.0661","","","0.1715","0.1873","","","","","","1.213","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7213306","11.0117","0.0005","10.6661","0.0008","12.2753","0.0009","65.331","0.003","65.329","0.004","62.908","0.003","1119.42","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C50 H56 N4 O8 -","2","1","","Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B.","Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2331","","10.1039/b001830i","","","0.71073","MoKα","","0.1396","0.0558","","","0.1103","0.1373","","","","","","0.931","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213307","13.724","0.003","14.03","0.004","17.657","0.005","90","","110.19","0.02","90","","3190.9","1.5","293","2","173","2","","","","","","","commercial (Fluka Chemical)","5","P 1 21 1","P 2yb","4","vinblastine sulfate","","","- C46 H58 N4 O32 S -","- C46 H58 N4 O32 S -","- C92 H116 N8 O64 S2 -","2","1","","Bau, Robert; Jin, Kevin Kai","Crystal structure of vinblastine","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2079","","10.1039/b001855o","","","0.70926","MoKα","","0.0615","0.0534","","0.1515","0.1425","","","","0.584","0.606","0.606","","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213308","8.781","0.004","8.807","0.004","21.478","0.014","79.22","0.04","79.78","0.04","73.48","0.03","1550.6","1.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","Bis (benzo-15-crown-5) 1,3,5,7 octatetrayne","","- C36 H38 O10 -","- C36 H38 O10 -","- C72 H76 O20 -","2","1","","Lee, Liang-Hui; Lynch, Vincent; Lagow, Richard J.","The synthesis and structural characterization of the first bis(benzocrown ethers) with polyyne linkages †","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2805","","10.1039/b001856m","","","0.71073","MoKα","","0.2412","0.0933","","0.2061","0.1473","","","","1.025","1.282","1.282","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213309","13.344","0.001","5.1406","0.0005","21.862","0.003","90","","100.95","0.01","90","","1472.3","0.3","198","2","198","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis (benzo-15-crown-5) 1,3 butadiyne","","- C32 H38 O10 -","- C32 H38 O10 -","- C64 H76 O20 -","2","0.5","","Lee, Liang-Hui; Lynch, Vincent; Lagow, Richard J.","The synthesis and structural characterization of the first bis(benzocrown ethers) with polyyne linkages †","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2805","","10.1039/b001856m","","","0.71073","MoKα","","0.2049","0.1143","","0.2671","0.2226","","","","1.276","1.62","1.62","","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213310","9.4387","0.0011","18.424","0.002","19.358","0.002","90","","90","","90","","3366.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O12 P4 -","- C30 H27 N3 O12 P4 -","- C120 H108 N12 O48 P16 -","4","1","","Wang, Wenhu; Cao, Ruzhen; Liu, Lunzu","The synthesis of novel trisphosphoranylphosphine and its oxide","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1673","","10.1039/b001917h","","","0.71073","MoKα","","0.0627","0.0598","","","0.0758","0.1036","","","","","","0.817","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213311","5.4491","0.0011","8.7088","0.0015","14.951","0.003","90","","94.31","0.03","90","","707.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C34 H34 N2 O4 S2 -","2","1","","Ali, Akbar; Uddin Ahmad, Viqar; Leistner, Joachim; Liebscher, Jürgen","Optically active 1,5-benzothiazepin-4-ones by ring transformation of 5-ylidene-1,3-dioxan-4-ones with 2-aminothiophenol","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1897","","10.1039/b001928n","","","0.71073","MoKα","","0.0353","0.0328","","","0.0793","0.0804","","","","","","1.009","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213312","8.5736","0.0015","12.007","0.003","12.669","0.002","90","","90","","90","","1304.2","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Ali, Akbar; Uddin Ahmad, Viqar; Leistner, Joachim; Liebscher, Jürgen","Optically active 1,5-benzothiazepin-4-ones by ring transformation of 5-ylidene-1,3-dioxan-4-ones with 2-aminothiophenol","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1897","","10.1039/b001928n","","","0.71073","MoKα","","0.027","0.0238","","","0.0537","0.0546","","","","","","1.021","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213313","5.5486","0.0001","17.8452","0.0008","19.0424","0.0008","90","","91.93","0.003","90","","1884.43","0.12","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Avery, Thomas D.; Greatrex, Ben W.; Taylor, Dennis K.; Tiekink, Edward R. T.","Exploitation of ylide steric bulk to alter cyclopropanation outcome during the reaction of 1,2-dioxines and stabilised phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1319","","10.1039/b001975p","","","0.7107","MoKα","","","0.073","","","","0.047","","","","","","2.54","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213315","7.347","0.001","7.874","0.001","12.715","0.001","71.339","0.005","78.603","0.008","81.054","0.005","679.77","0.14","296","2","296","1","","","","","","","","3","P -1","-P 1","2","","(3SR,4SR,5SR,6RS,7RS)-2,4,6-trimethyl-nonane-3,5,7-triol","","- C12 H26 O3 -","- C12 H26 O3 -","- C24 H52 O6 -","2","1","","Delas, Christophe; Blacque, Olivier; Moïse, Claude","Study of a tandem aldol‒Tischtschenko reaction between chiral enolsilanes and aldehydes catalyzed by titanium(IV) isopropoxide","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2265","","10.1039/b002008g","","","0.71073","MoKα","","0.0664","0.0453","","","0.1235","0.1371","","","","","","1.041","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213316","9.6044","0.0008","12.3674","0.0013","11.9674","0.0006","90","","106.324","0.005","90","","1364.2","0.2","293","2","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3SR,4SR,5RS,6RS,7RS)-2,4,6-trimethyl-nonane-3,5,7-triol","","- C12 H26 O3 -","- C12 H26 O3 -","- C48 H104 O12 -","4","1","","Delas, Christophe; Blacque, Olivier; Moïse, Claude","Study of a tandem aldol‒Tischtschenko reaction between chiral enolsilanes and aldehydes catalyzed by titanium(IV) isopropoxide","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2265","","10.1039/b002008g","","","0.71073","MoKα","","0.1156","0.0477","","","0.1173","0.1433","","","","","","1.004","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213317","12.504","0.011","11.299","0.01","19.8","0.02","90","","113.3","0.1","90","","2569","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","13,16‒dibenzyl‒2,6‒dioxa‒10,19‒dithia‒13,16‒diazatricyclo [16.3.0^7,11^]heneicosa‒1^18^,20,7^11^,8‒tetraene","","- C29 H32 N2 O2 S2 -","- C29 H32 N2 O2 S2 -","- C116 H128 N8 O8 S8 -","4","1","","Halfpenny, Joan; Sloman, Zachary S.","An effective self-templating ring closure method for mixed donor thiophene-based macrocycles","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1877","","10.1039/b002029j","","","0.71069","MoKα","","0.0741","0.0609","","","0.1415","0.1498","","","","","","1.14","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213318","11.432","0.008","24.74","0.012","7.678","0.004","90","","92.45","0.05","90","","2170","2","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18 Cl Fe N O9 -","- C19.5 H18 Cl Fe N O9 -","- C78 H72 Cl4 Fe4 N4 O36 -","4","1","","Ley, Steven V.; Wright, Edward A.","1,7-Asymmetric induction of chirality in a Mukaiyama aldol reaction using π-allyltricarbonyliron lactone complexes: highly diastereoselective synthesis of α-substituted β-hydroxy carbonyl compounds","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1677","","10.1039/b002056g","","","0.71073","MoKα","","0.0808","0.0547","","0.1356","0.1235","","","","0.982","1.102","1.102","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213319","9.527","0.002","12.367","0.005","18.594","0.007","90","0.03","90","0.03","90","0.02","2190.8","1.3","293","2","293","2","","","","","","","","3","P 21 a b","P -2b 2a","29","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter","Synthesis of novel 1-methylindole trimer and tetramer under Friedel‒Crafts reaction conditions and determination of their structures by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2767","","10.1039/b002074p","","","1.5418","CuKα","","0.0781","0.0459","","","0.1079","0.1226","","","","","","1.074","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213320","10.595","0.005","11.125","0.004","13.02","0.001","78.57","0.06","68.32","0.06","86.25","0.03","1397.8","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 N4 -","- C36 H30 N4 -","- C72 H60 N8 -","2","1","","Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter","Synthesis of novel 1-methylindole trimer and tetramer under Friedel‒Crafts reaction conditions and determination of their structures by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2767","","10.1039/b002074p","","","1.5418","CuKα","","0.1588","0.0592","","","0.1297","0.163","","","","","","1.028","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213321","6.667","0.002","7.607","0.003","10.567","0.004","73.34","0.03","86.35","0.03","75.58","0.03","497.2","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C22 H20 O8 -","2","1","","Canali, Laetitia; Cowan, Elaine; Deleuze, Hervé; Gibson, Colin L.; Sherrington, David C.","Polystyrene and polymethacrylate resin-supported Jacobsen’s alkene epoxidation catalyst","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2055","","10.1039/b002118k","","","0.71069","MoKalpha","","0.044","0.0333","","0.0517","0.0501","","","","","1.908","1.908","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213324","14.34","0.001","11.781","0.001","22.032","0.001","90","","90","","90","","3722.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 F6 N4 S2 -","- C12 H24 F6 N4 S2 -","- C96 H192 F48 N32 S16 -","8","1","","Kolomeitsev, Alexander; Médebielle, Maurice; Kirsch, Peer; Lork, Enno; Röschenthaler, Gerd-Volker","Synthesis, structure and reactivity of a trifluoromethyl sulfide anionic salt stabilized with tetrakis(dimethylamino)ethylene dication (TDAE2+)","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2183","","10.1039/b002252g","","","0.71073","MoKα","","0.0592","0.0416","","","0.0854","0.0933","","","","","","1.039","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213325","22.179","0.002","10.9087","0.0008","10.7255","0.0009","90","","103.857","0.011","90","","2519.4","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H35 N3 O6 -","- C24 H35 N3 O6 -","- C96 H140 N12 O24 -","4","1","","Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen","Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1867","","10.1039/b002258f","","","0.71073","MoKα","","0.0512","0.0345","","","0.0748","0.0804","","","","","","0.922","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213326","7.1046","0.0007","7.2949","0.0005","13.3142","0.0014","90","","93.036","0.012","90","","689.07","0.11","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen","Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1867","","10.1039/b002258f","","","0.71073","MoKα","","0.0348","0.0319","","","0.0837","0.0855","","","","","","1.04","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213327","11.1496","0.0007","8.7609","0.0006","18.84","0.0012","90","","105.449","0.007","90","","1773.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen","Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1867","","10.1039/b002258f","","","0.71073","MoKα","","0.0572","0.0391","","","0.098","0.1063","","","","","","0.942","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213338","8.4008","0.0005","9.9077","0.0006","11.8739","0.0008","90","","97.278","0.004","90","","980.33","0.11","200","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C38 H60 Br2 N2 O4 -","2","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","0.71073","MoKα","","0.062","0.042","","0.064","0.045","0.063","","","1.179","1.129","1.129","1.129","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213339","9.591","0.002","12.8947","0.0009","14.871","0.002","90","","90","","90","","1839.1","0.5","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","1.5418","CuKα","","0.0205","0.0198","","0.0266","","0.0264","","","1.163","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213340","7.08","0.003","9.637","0.001","29.064","0.002","90","","90","","90","","1983","0.9","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Br2 N O2 -","- C18 H29 Br2 N O2 -","- C72 H116 Br8 N4 O8 -","4","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","1.5418","CuKα","","0.036","0.0326","","0.0416","","0.0412","","","2.48","","","2.562","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213341","17.444","0.006","7.241","0.001","13.329","0.005","90","","111.55","0.01","90","","1565.9","0.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C64 H116 N4 O12 -","4","1","","Djaidi, Djamal; Leung, Ivy S. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Ritter reactions. Part 14. Rearrangement of 3,3,7,7-tetramethyl-6-methylidenebicyclo[3.3.1]nonan-2-one","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2037","","10.1039/b002544p","","","1.54184","CuKα","","","0.042","","","","0.061","","","","","","1.5","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213342","13.73","0.005","11.477","0.004","9.621","0.004","90","","96.43","0.02","90","","1506.5","1","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Djaidi, Djamal; Leung, Ivy S. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Ritter reactions. Part 14. Rearrangement of 3,3,7,7-tetramethyl-6-methylidenebicyclo[3.3.1]nonan-2-one","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2037","","10.1039/b002544p","","","1.54184","CuKα","","","0.065","","","","0.104","","","","","","1.81","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213343","16.222","0.007","11.361","0.003","9.661","0.004","90","","113.08","0.02","90","","1638","1.1","294","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N2 O2 -","- C18 H34 N2 O2 -","- C72 H136 N8 O8 -","4","0.5","","Djaidi, Djamal; Leung, Ivy S. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Ritter reactions. Part 14. Rearrangement of 3,3,7,7-tetramethyl-6-methylidenebicyclo[3.3.1]nonan-2-one","Journal of the Chemical Society, Perkin Transactions 1","2000","","13","2037","","10.1039/b002544p","","","1.54184","CuKα","","","0.042","","","","0.061","","","","","","2.04","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213344","8.4512","0.0019","10.55","0.004","19.373","0.004","90","","93.569","0.018","90","","1723.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 I N O2 S -","- C16 H18.99 I N O2 S -","- C64 H75.96 I4 N4 O8 S4 -","4","1","","Murphy, John A.; Scott, Karen A.; Sinclair, Rhona S.; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lewis, Norman","A radical based addition‒elimination route for the preparation of indoles","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2395","","10.1039/b002565h","","","0.71069","MoKα","","0.1195","0.0412","","","0.0981","0.1186","","","","","","0.985","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213345","10.51","0.002","13.225","0.003","22.293","0.005","88.29","0.03","89.88","0.03","72.94","0.03","2960.9","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,4-(bis 1,4-dithiafulven-6-yl)benzene cyclophane","","","- C28 H36 S6 -","- C28 H36 S6 -","- C112 H144 S24 -","4","2","","Lorcy, Dominique; Guérin, David; Boubekeur, Kamal; Carlier, Roger; Hascoat, Philippe; Tallec, André; Robert, Albert","Electrochemical oxidative coupling of 1,4-bis(1,4-dithiafulven-6-yl)benzene cyclophanes","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2719","","10.1039/b002596h","","","0.71073","MoKα","","0.143","0.0532","","","0.1056","0.1232","","","","","","0.829","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213347","11.952","0.002","13.551","0.002","17.076","0.003","90","","90","","90","","2765.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Br O12 -","- C22 H33 Br O12 -","- C88 H132 Br4 O48 -","4","1","","Idris, M. Sum; Larsen, David S.; Pritchard, Robin G.; Schofield, Anthony; Stoodley, Richard J.; Tiffin, Peter D.","Regio- and stereo-selective bromo(alkoxylation)s of (E )-α-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxymethylene) carbonyl compounds. A route to near-stereopure α-bromo α-dioxymethyl carbonyl compounds †","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2195","","10.1039/b002749i","","","0.71069","MoKα","","0.1175","0.0731","","","0.1346","0.1438","","","","","","1.346","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213348","8.567","0.003","12.272","0.014","16.895","0.003","90","","90","","90","","1776","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Boehm, Haydn M.; Handa, Sandeep; Pattenden, Gerald; Roberts, Lee; Blake, Alexander J.; Li, Wan-Sheung","Cascade radical cyclisations leading to steroid ring constructions. Regio- and stereo-chemical studies using ester- and fluoro-alkene substituted polyene acyl radical intermediates","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3522","","10.1039/b002999h","","","0.71073","MoKα","","0.131","0.035","","","0.0582","0.0821","","","","","","0.406","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213349","16.12","0.009","11.511","0.009","11.189","0.008","90","","96.329","0.01","90","","2064","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Currie, Gordon S.; Drew, Michael G. B.; Harwood, Laurence M.; Hughes, David J.; Luke, Richard W. A.; Vickers, Richard J.","Chirally templated boronic acid Mannich reaction in the synthesis of optically active α-amino acids","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2982","","10.1039/b003067h","","","0.7107","MoKα","","0.0762","0.0612","","","0.1629","0.1734","","","","","","1.064","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213353","7.389","0.002","10.165","0.002","12.128","0.003","109.6","0.01","107.55","0.02","94.24","0.02","802.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C28 H32 N4 O8 S4 -","2","1","","Jeon, Moon-Kook; Kim, Kyongtae","Reactions of 5-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione with primary and secondary alkylamines †","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3107","","10.1039/b003109g","","","0.71073","MoKα","","0.0587","0.055","","","0.1496","0.1528","","","","","","1.123","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213354","7.517","0.002","19.328","0.002","7.974","0.001","90","0.01","107.39","0.02","90","0.01","1105.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O3 S2 -","- C9 H10 N2 O3 S2 -","- C36 H40 N8 O12 S8 -","4","1","","Jeon, Moon-Kook; Kim, Kyongtae","Reactions of 5-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione with primary and secondary alkylamines †","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3107","","10.1039/b003109g","","","0.71073","MoKα","","0.0413","0.0391","","","0.0907","0.0926","","","","","","1.124","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213355","10.571","0.0002","19.569","0.0008","13.084","0.0005","90","","101.141","0.002","90","","2655.6","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H68 Li3 N3 O20 P6 -","- C38 H68 Li3 N3 O20 P6 -","- C76 H136 Li6 N6 O40 P12 -","2","1","","Iorga, Bogdan; Ricard, Louis; Savignac, Philippe","Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3311","","10.1039/b003371p","","","0.7107","MoKα","","0.0513","0.0408","","","0.11","0.1158","","","","","","1.032","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213356","10.508","0.0005","16.398","0.0007","19.333","0.0008","90","0.003","100.048","0.002","90","0.002","3280.2","0.3","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O6 P2 -","- C12 H21 N O6 P2 -","- C96 H168 N8 O48 P16 -","8","2","","Iorga, Bogdan; Ricard, Louis; Savignac, Philippe","Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3311","","10.1039/b003371p","","","0.7107","MoKα","","0.1316","0.0537","","","0.1065","0.1398","","","","","","1.022","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213357","14.474","0.0009","9.472","0.0006","10.552","0.0005","90","","103.753","0.004","90","","1405.18","0.14","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N O3 P -","- C13 H16 N O3 P -","- C52 H64 N4 O12 P4 -","4","1","","Iorga, Bogdan; Ricard, Louis; Savignac, Philippe","Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3311","","10.1039/b003371p","","","0.7107","MoKα","","0.0946","0.0599","","","0.2265","0.2486","","","","","","0.982","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213364","5.845","0.005","17.134","0.004","7.935","0.007","90","","107.54","0.06","90","","757.7","1","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","0.5","","Yadav, Veejendra K.; Balamurugan, Rengarajan; Parvez, Masood; Yamdagni, Raghav","The thionophosphate‒thiolophosphate † photoisomerization proceeds predominantly through a non-chain radical pathway. Synthetically viable benzylation of tetrahydrofuran, propan-2-ol and olefins ‡","Journal of the Chemical Society, Perkin Transactions 1","2001","","3","323","","10.1039/b003501g","","","0.7107","MoKα","","0.0759","0.0759","","0.0507","0.0507","","","","3.334","3.334","3.334","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213365","17.41","0.003","8.7394","0.0015","12.1881","0.0015","90","","107.29","0.01","90","","1770.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3aSR, 4SR, 6aSR, 6RS)-3-(2,6-dichlorophenyl)-6-methyl-4- methylcarbonyloxy-5, 6-dihydro-4H cyclopenta [d][1,2] oxazol-6-yl acetate","","- C17 H17 Cl2 N O5 -","- C17 H17 Cl2 N O5 -","- C68 H68 Cl8 N4 O20 -","4","1","","Adembri, Giorgio; Giorgi, Gianluca; Lampariello, Raffaella L.; Paoli, Maria L.; Sega, Alessandro","Regio- and diastereo-selectivity in 1,3-dipolar cycloadditions of nitrile oxides to 4-substituted cyclopent-2-enones","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2649","","10.1039/b003549l","","","0.71073","MoKα","","0.0925","0.0487","","","0.0927","0.109","","","","","","1.019","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213366","37.11","0.008","10.064","0.002","20.82","0.009","90","","90","","90","","7776","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MCPTweezer","MCPTweezer","","- C74 H94 Cl12 O6 -","- C74 H94 Cl12 O6 -","- C296 H376 Cl48 O24 -","4","0.5","","Sawada, Tsuyoshi; Yamada, Masaki; Thiemann, Thies; Mataka, Shuntaro","Preparation and structures of novel [2.2.2]metacyclophane tweezers","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2623","","10.1039/b003584j","","","1.54184","CuKa","","0.2754","0.0862","","0.3338","","0.229","","","1.04","","","1.256","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213367","12.033","0.002","12.768","0.001","6.244","0.002","90","","90","","90","","959.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C32 H48 N16 O8 -","4","1","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a dimerising eight-membered lactam dipeptide","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2943","","10.1039/b003789n","","","0.71069","MoKα","","0.1165","0.0527","","0.1892","0.1309","","","","1.043","1.079","1.079","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213368","14.871","0.003","18.478","0.005","9.682","0.003","90","","90","","90","","2660.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C88 H152 N24 O24 -","8","2","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a dimerising eight-membered lactam dipeptide","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2943","","10.1039/b003789n","","","0.71069","MoKα","","0.2018","0.0592","","0.2824","0.1399","","","","1.08","1.199","1.199","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213369","7.955","0.002","18.21","0.005","10.141","0.002","90","","90.93","0.02","90","","1468.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3(S)-(Acetyl-amino)-8(R)-carboxy-azacane-2-one methy ester","","- C11.5 H18.5 Cl1.5 N2 O4 -","- C11.5 H18.5 Cl1.5 N2 O4 -","- C46 H74 Cl6 N8 O16 -","4","2","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a type VIb β-turn mimetic based on an eight-membered lactam","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2957","","10.1039/b003791p","","","1.54178","CuKα","","0.0588","0.0513","","0.1419","0.1344","","","","1.039","1.055","1.055","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213370","13.131","0.002","14.125","0.002","11.6791","0.0014","90","","97.061","0.012","90","","2149.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 3f","","- C26 H28 O S -","- C26 H28 O S -","- C104 H112 O4 S4 -","4","1","","Thiemann, Thies; Ohira, Daisuke; Li, Yuanqiang; Sawada, Tsuyoshi; Mataka, Shuntaro; Rauch, Karsten; Noltemeyer, Mathias; de Meijere, Armin","[4 + 2] Cycloaddition of thiophene S-monoxides to activated methylenecyclopropanes","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2968","","10.1039/b003850o","","","0.71073","MoKα","","0.0553","0.0419","","0.1072","0.093","","","","1.083","1.067","1.067","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213372","7.131","0.001","12.598","0.002","13.699","0.002","90","","90","","90","","1230.7","0.3","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Tandel, Sagun; Wang, Anlai; Zhang, Hongming; Yousuf, Pervaiz; Biehl, Edward R.","Investigation of the reaction of 2-bromo-1-naphthol with arylacetonitriles and LiTMP: facile synthesis of 3-arylmethyl-1-hydroxynaphthalene-2-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3149","","10.1039/b003935g","","","0.71073","MoKα","","0.0445","0.0322","","0.0897","0.0769","","","","1.04","1.048","1.048","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213373","9.311","0.002","11.104","0.002","17.245","0.003","90","","90","","90","","1782.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O6 -","- C16 H28 N2 O6 -","- C64 H112 N8 O24 -","4","1","","Gravestock, Michael B.; Knight, David W.; Malik, K. M. Abdul; Thornton, Steven R.","A new version of the reverse-Cope elimination initiated by the nucleophilic addition of allylamines to nitrones: a synthesis of vicinal diamines","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3292","","10.1039/b003959o","","","0.71073","MoKα","","0.1139","0.0541","","0.1329","0.1136","","","","0.938","1.075","1.075","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213376","8.637","0.004","17.757","0.007","9.976","0.007","90","","110.15","0.03","90","","1436.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","1","","Hong, Bor-Cherng; Sun, Hsu-I; Shr, Yeong-Jou; Lin, Kuan-Jiuh","A novel oxidative alkylation‒nitration of 1,3-dicarbonyl compounds to dicyclopentadiene and norbornene †","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2939","","10.1039/b004095i","","","0.71069","MoKα","","0.0743","0.0427","","0.1222","0.1092","","","","1.043","1.192","1.192","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213377","6.977","0.01","40.172","0.017","7.607","0.014","90","","115.05","0.09","90","","1932","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O2 S2 -","- C21 H16 Cl2 O2 S2 -","- C84 H64 Cl8 O8 S8 -","4","1","","Gabbutt, Christopher D.; Hepworth, John D.; Heron, B. Mark; Coles, Simon J.; Hursthouse, Michael B.","Synthesis of some thiochromeno[4,3-c]- and [3,4-c]-pyrazoles","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2930","","10.1039/b004149l","","","0.71069","MoKα","","0.2233","0.0562","","0.1313","0.0879","","","","0.472","0.875","0.875","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213379","12.698","0.002","9.275","0.004","14.006","0.002","90","","102.88","0.01","90","","1608","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C68 H92 Br4 O8 -","4","1","","Bogdan, Elena; Grosu, Ion; Mesaros, Eugen; Toupet, Loïc; Plé, Gerard; Mager, Sorin; Muntean, Luminita","Considerations on the stereoselective synthesis of dibrominated spiro-1,3-dioxanes. Synthesis and stereochemistry of monobrominated precursors","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3635","","10.1039/b004282j","","","0.71069","MoKα","","0.0752","0.0475","","","0.1121","0.124","","","","","","1.053","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213380","12.232","0.002","9.102","0.001","12.322","0.009","90","","106.32","0.03","90","","1316.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Br O2 -","- C12 H21 Br O2 -","- C48 H84 Br4 O8 -","4","1","","Bogdan, Elena; Grosu, Ion; Mesaros, Eugen; Toupet, Loïc; Plé, Gerard; Mager, Sorin; Muntean, Luminita","Considerations on the stereoselective synthesis of dibrominated spiro-1,3-dioxanes. Synthesis and stereochemistry of monobrominated precursors","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3635","","10.1039/b004282j","","","0.71069","MoKα","","0.0818","0.0431","","","0.1037","0.1186","","","","","","1.065","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213381","6.6773","0.0014","8.191","0.002","9.319","0.002","71.48","0.015","79.503","0.015","73.308","0.015","460.6","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C18 H14 N6 O2 S2 -","2","1","","Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.","Syntheses and characterization of 5-substituted hydantoins and thiazolines—implications for crystal engineering of hydrogen bonded assemblies. Crystal structures † of 5-(2-pyridylmethylene)hydantoin, 5-(2-pyridylmethylene)-2-thiohydantoin, 5-(2-pyridylmethylene)thiazolidine-2,4-dione, 5-(2-pyridylmethylene)rhodanine and 5-(2-pyridylmethylene)pseudothiohydantoin †","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3495","","10.1039/b004312p","","","1.54178","CuKα","","0.0375","0.035","","0.1056","0.0942","","","","1.039","1.038","1.038","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213382","4.709","0.003","10.278","0.004","18.676","0.011","90","","92.11","0.05","90","","903.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.","Syntheses and characterization of 5-substituted hydantoins and thiazolines—implications for crystal engineering of hydrogen bonded assemblies. Crystal structures † of 5-(2-pyridylmethylene)hydantoin, 5-(2-pyridylmethylene)-2-thiohydantoin, 5-(2-pyridylmethylene)thiazolidine-2,4-dione, 5-(2-pyridylmethylene)rhodanine and 5-(2-pyridylmethylene)pseudothiohydantoin †","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3495","","10.1039/b004312p","","","1.54178","CuKα","","0.0364","0.0355","","0.102","0.0968","","","","1.048","1.054","1.054","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213383","4.9555","0.0008","8.9958","0.0015","10.773","0.002","108.603","0.009","95.338","0.012","95.933","0.012","448.65","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N2 O2 S -","- C9 H6 N2 O2 S -","- C18 H12 N4 O4 S2 -","2","1","","Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.","Syntheses and characterization of 5-substituted hydantoins and thiazolines—implications for crystal engineering of hydrogen bonded assemblies. Crystal structures † of 5-(2-pyridylmethylene)hydantoin, 5-(2-pyridylmethylene)-2-thiohydantoin, 5-(2-pyridylmethylene)thiazolidine-2,4-dione, 5-(2-pyridylmethylene)rhodanine and 5-(2-pyridylmethylene)pseudothiohydantoin †","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3495","","10.1039/b004312p","","","0.71073","MoKα","","0.0458","0.0375","","0.1119","0.1055","","","","1.128","1.156","1.156","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213384","3.8818","0.0007","11.0381","0.0013","11.4248","0.0014","76.449","0.008","87.344","0.013","82.699","0.014","471.97","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N2 O S2 -","- C9 H6 N2 O S2 -","- C18 H12 N4 O2 S4 -","2","1","","Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J.","Syntheses and characterization of 5-substituted hydantoins and thiazolines—implications for crystal engineering of hydrogen bonded assemblies. Crystal structures † of 5-(2-pyridylmethylene)hydantoin, 5-(2-pyridylmethylene)-2-thiohydantoin, 5-(2-pyridylmethylene)thiazolidine-2,4-dione, 5-(2-pyridylmethylene)rhodanine and 5-(2-pyridylmethylene)pseudothiohydantoin †","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3495","","10.1039/b004312p","","","1.54178","CuKα","","0.0447","0.042","","0.1208","0.1165","","","","1.053","1.061","1.061","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213390","24.604","0.008","5.8049","0.0018","14.597","0.004","90","","111.784","0.006","90","","1935.9","1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H19 Br O1.5 -","- C22.5 H19 Br O1.5 -","- C90 H76 Br4 O6 -","4","1","","Aggarwal, Varinder K.; Smith, Helen W.; Hynd, George; Jones, Ray V. H.; Fieldhouse, Robin; Spey, Sharon E.","Catalytic cyclopropanation of electron deficient alkenes mediated by chiral and achiral sulfides: scope and limitations in reactions involving phenyldiazomethane and ethyl diazoacetate","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3267","","10.1039/b004367m","","","0.71073","MoKα","","0.1212","0.0658","","","0.1733","0.2006","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213392","14.408","0.002","7.993","0.002","14.544","0.002","90","","107.88","0.02","90","","1594","0.5","301.2","","301.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Kelkar, Avijit S.; Letcher, Roy M.; Cheung, Kung-Kai; Chiu, Kwei-Fung; Brown, Geoffrey D.","Synthesis of C-ring substituted xanthones from the [4 + 2] cycloaddition reaction of vinylchromones and acyclic enamines","Journal of the Chemical Society, Perkin Transactions 1","2000","","22","3732","","10.1039/b004422i","","","0.7107","MoKalpha","","","0.0712","","","0.0968","","","","","1.994","1.994","","","","","has coordinates","288197","2023-12-08","18:09:39",""
"7213393","22.123","0.003","7.04","0.001","15.937","0.003","90","0.1","92.8","0.1","90","0.1","2479.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H9 Cl2 N O2 -","- C14 H9 Cl2 N O2 -","- C112 H72 Cl16 N8 O16 -","8","2","","Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter","A novel annelation to quinolines and isoquinolines under Friedel‒Crafts conditions: a one-step synthesis of functionalized pyridoquinolines and pyridoisoquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2898","","10.1039/b004444j","","","1.5418","CuKα","","0.0519","0.0408","","","0.1377","0.1412","","","","","","1.135","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213394","5.1199","0.0013","13.998","0.004","24.286","0.006","90","","90","","90","","1740.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Simpson, Alison F.; Bodkin, Corinna D.; Butts, Craig P.; Armitage, Mark A.; Gallagher, Timothy","Asymmetric reduction of prochiral cycloalkenones. The influence of exocyclic alkene geometry","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3047","","10.1039/b004540n","","","0.71073","MoKα","","0.1002","0.05","","0.1033","0.0878","","","","0.969","1.049","1.049","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213395","11.0048","0.0015","12.097","0.0018","10.7206","0.0016","103.229","0.013","94.072","0.014","113.705","0.011","1250.6","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Clayden, Jonathan; Helliwell, Madeleine; McCarthy, Catherine; Westlund, Neil","Atropisomeric benzamides and naphthamides as chiral auxiliaries †","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3232","","10.1039/b004682p","","","1.5418","CuKα","","0.1272","0.0728","","","0.2005","0.2382","","","","","","1.048","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213399","5.3697","0.0003","16.3416","0.0014","21.7265","0.0018","90","","90","","90","","1906.5","0.3","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CSF93/Spivey/AN-Wafers/4999/12-3-99.","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Spivey, Alan C.; Maddaford, Adrian; Fekner, Tomasz; Redgrave, Alison J.; Frampton, Christopher S.","Synthesis of C2-symmetric analogues of 4-(pyrrolidino)pyridine: new chiral nucleophilic catalysts","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3460","","10.1039/b004704j","","","0.71073","MoKα","","0.0338","0.0298","","","0.0789","0.0806","","","","","","1.002","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213400","18.906","0.002","5.616","0.006","20.119","0.002","90","","97.916","0.008","90","","2116","2","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","1","","Ishii, Keitaro; Shimada, Yukio; Sugiyama, Shigeo; Noji, Masahiro","Photoreactions of β-aziridinylacrylonitrile. 1,3-Dipolar cycloadditions of photoinduced azomethine ylide","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3022","","10.1039/b004850j","","","1.54178","CuKα","","","0.0468","","","0.066","","","","","1.047","1.047","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213401","8.405","0.009","9.044","0.009","10.192","0.012","69.549","0.01","76.797","0.01","71.6","0.01","682.7","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O7 -","- C12 H16 O7 -","- C24 H32 O14 -","2","1","","Hodgson, David M.; Bailey, James M.; Villalonga-Barber, Carolina; Drew, Michael G. B.; Harrison, Timothy","Selectivity in the cycloadditions of carbonyl ylides with glyoxylates: an approach to the zaragozic acids—squalestatins","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3432","","10.1039/b004870o","","","0.71073","MoKα","","0.0722","0.0645","","","0.1822","0.2011","","","","","","0.291","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7213403","11.271","0.001","9.216","0.004","24.27","0.003","90","","92.27","0.06","90","","2519","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl[1-(2-phenylamino-3-oxocyclopentyl)ethyl]phosphine oxide","","- C30 H26 N O3 P -","- C30 H26 N O3 P -","- C120 H104 N4 O12 P4 -","4","1","","Álvarez-Gutiérrez, Julia M.; López-Ortiz, Fernando; García-Granda, Santiago; Rodríguez-González, Alejandra","Synthesis of cyclopentenones and butenolides by reaction of the lithium salt of P,P-diphenyl-P-(alkyl)(N-phenyl)phosphazenes with electrophilic double and triple bonds","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4469","","10.1039/b005131o","","","0.71073","mokα","","0.3456","0.0492","","","0.085","0.1502","","","","","","0.896","","","","has coordinates","193991","2020-10-21","18:00:00",""
"7213404","13.294","0.002","15.467","0.002","12.047","0.001","90","","90","","90","","2477.1","0.5","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0887","","","0.0896","","","","","1.102","1.102","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213405","13.9906","0.0009","22.06","0.001","8.082","0.001","90","","90","","90","","2494.4","0.4","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0399","","","0.0384","","","","","1.647","1.647","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213406","12.384","0.002","21.405","0.002","9.292","0.002","90","","90","","90","","2463.1","0.7","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0395","","","0.04","","","","","2.798","2.798","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213407","8.715","0.002","18.175","0.005","21.948","0.005","90","","90","","90","","3476.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O7 -","- C16 H20 Cl N O7 -","- C128 H160 Cl8 N8 O56 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","1.54178","CuKα","","0.1119","0.0885","","","0.2253","0.2506","","","","","","1.012","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213408","8.12","0.021","12.457","0.019","12.139","0.019","90","","101.18","0.17","90","","1205","4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C50 H58 N2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","0.71073","MoKα","","0.2036","0.1013","","","0.2435","0.3195","","","","","","0.945","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213409","10.33","0.003","11.287","0.004","21.203","0.006","90","","90","","90","","2472.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br F3 N O5 -","- C25 H23 Br F3 N O5 -","- C100 H92 Br4 F12 N4 O20 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","0.71073","MoKα","","0.1472","0.0685","","","0.128","0.1526","","","","","","0.896","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213410","6.3717","0.0014","10.2304","0.0011","12.68","0.002","94.724","0.011","99.273","0.016","97.332","0.013","804.6","0.2","177","","177","","","","","","","","?","3","P -1","-P 1","2","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","1","","Robertson, Jeremy; Hatley, Richard J. D.; Watkin, David J.","Preparation of the tricyclic ketopyrrole core of roseophilin by radical macrocyclisation and Paal‒Knorr condensation","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3389","","10.1039/b005351l","","","1.5418","CuKα","","","0.0517","","","","0.055","","","","","","0.8606","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213411","7.4089","0.0001","10.5805","0.0002","20.2337","0.0003","90","","90.491","0.001","90","","1586.06","0.04","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Nair, Vijay; Nandakumar, Mecheril Valsan; Anilkumar, Gopinathan Nair; Maliakal, Davis; Vairamani, Mariappanadar; Prabhakar, Sripadi; Rath, Nigam P.","Cycloaddition reactions of 2-oxo-2H-cyclohepta[b]furan derivatives with arylacetylenes and the di-π-methane rearrangement of homobarrelene derivatives","Journal of the Chemical Society, Perkin Transactions 1","2000","","22","3795","","10.1039/b005377p","","","0.71073","MoKα","","0.0603","0.0377","","","0.0892","0.1003","","","","","","1.014","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213412","12.738","0.006","14.973","0.008","28.374","0.015","90","","93.06","0.04","90","","5404","5","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{5-(1-Methylpropyl)-10,20-diphenylporphy- rinato}nickel(II)","","- C36 H28 N4 Ni -","- C36 H23.5 N4 Ni -","- C288 H188 N32 Ni8 -","8","2","","Senge, Mathias O.; Feng, Xiangdong","Regioselective reaction of 5,15-disubstituted porphyrins with organolithium reagents—synthetic access to 5,10,15-trisubstituted porphyrins and directly meso-meso-linked bisporphyrins","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3615","","10.1039/b005411i","","","1.54178","CuKα","","0.117","0.0786","","","0.2048","0.2365","","","","","","1.024","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213413","12.157","0.005","18.255","0.01","13.045","0.006","90","","116.75","0.03","90","","2585","2","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-isopropyl-10,20-diphenylporphyrin","","- C35 H28 N4 -","- C35 H28 N4 -","- C140 H112 N16 -","4","1","","Senge, Mathias O.; Feng, Xiangdong","Regioselective reaction of 5,15-disubstituted porphyrins with organolithium reagents—synthetic access to 5,10,15-trisubstituted porphyrins and directly meso-meso-linked bisporphyrins","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3615","","10.1039/b005411i","","","1.54178","CuKα","","0.0514","0.0418","","","0.1109","0.1182","","","","","","1.026","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213416","7.15","0.009","9.834","0.011","12.116","0.013","90","","94.66","0.01","90","","849.1","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H25 N O3 Si -","- C14 H25 N O3 Si -","- C28 H50 N2 O6 Si2 -","2","1","","Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D.","A novel approach to bis-isoxazolines using a latent form of cyclopentadienone","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3592","","10.1039/b005520o","","","0.71073","MoKα","","0.0964","0.0645","","","0.1513","0.165","","","","","","1.066","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213417","7.091","0.009","25.43","0.03","11.529","0.014","90","","96.49","0.01","90","","2066","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Br N O3 Si -","- C18 H24 Br N O3 Si -","- C72 H96 Br4 N4 O12 Si4 -","4","1","","Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D.","A novel approach to bis-isoxazolines using a latent form of cyclopentadienone","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3592","","10.1039/b005520o","","","0.71073","MoKα","","0.2598","0.1249","","","0.3276","0.3912","","","","","","1.087","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213418","5.513","0.008","49.82","0.06","10.84","0.014","90","","103.71","0.01","90","","2892","7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br N2 O3 -","- C15 H13 Br N2 O3 -","- C120 H104 Br8 N16 O24 -","8","2","","Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D.","A novel approach to bis-isoxazolines using a latent form of cyclopentadienone","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3592","","10.1039/b005520o","","","0.71073","MoKα","","0.2013","0.108","","","0.2553","0.2893","","","","","","1.088","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213419","11.2827","0.001","13.2262","0.001","9.239","0.001","90","","98.352","0.01","90","","1364.1","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Ram, Vishnu J.; Nath, Mahendra; Srivastava, Pratibha; Sarkhel, Sanjay; Maulik, Prakas R.","A facile access to the synthesis of functionalised unsymmetrical biaryls from 2H-pyran-2-ones through carbanion induced C‒C bond formation †","Journal of the Chemical Society, Perkin Transactions 1","2000","","22","3719","","10.1039/b005572g","","","0.71073","MoKα","","0.0402","0.0386","","0.1119","0.1075","","","","1.105","1.083","1.083","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213425","10.781","0.002","11.994","0.003","12.33","0.003","79.69","0.02","81.95","0.02","78","0.03","1525.6","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 N3 O6 Si -","- C27 H41 N3 O6 Si -","- C54 H82 N6 O12 Si2 -","2","1","","Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R.","Stereoisomerism in 3-[N-(2-acetoxypropanoyl)-N-acylamino]quinazolin-4(3H )-ones, enantioselective acylating agents","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4413","","10.1039/b005814i","","","0.71073","MoKα","","0.1494","0.0699","","","0.1848","0.2251","","","","","","1.097","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213426","9.555","0.001","10.182","0.001","25.711","0.002","90","","98.75","0.01","90","","2472.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N P2 -","- C30 H29 N P2 -","- C120 H116 N4 P8 -","4","1","","Batsanov, Andrei S.; Davidson, Matthew G.; Fernández, Ignacio; Howard, Judith A. K.; López-Ortiz, Fernando; Price, Richard D.","One pot synthesis of a chiral N-phosphine substituted iminophosphorane: X-ray structure and in situ NMR study","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4237","","10.1039/b005816p","","","0.71073","MoKα","","0.1068","0.0622","","0.1336","0.1055","","","","1.138","1.192","1.192","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213427","12.9858","0.0004","11.7576","0.0003","25.6292","0.0008","90","","90","","90","","3913.1","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 B N O4 -","- C20 H28 B N O4 -","- C160 H224 B8 N8 O32 -","8","1","","Green, Stuart; Nelson, Adam; Warriner, Stuart; Whittaker, Benjamin","Synthesis and investigation of the configurational stability of some dimethylammonium borate salts","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4403","","10.1039/b005954o","","","1.54184","CuKα","","0.0582","0.0415","","","0.0991","0.1098","","","","","","1.086","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213429","9.667","0.003","14.06","0.002","17.366","0.003","90","","105.9","0.02","90","","2270","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O -","- C22 H22 Cl2 N4 O -","- C88 H88 Cl8 N16 O4 -","4","1","","Cheng, Ying; Jiao, Peng; Williams, David J.; Cohn, Otto-Meth","Unexpected products from the formylation of N,N-dimethylanilines with 2-formamidopyridine in POCl3","Journal of the Chemical Society, Perkin Transactions 1","2001","","1","44","","10.1039/b006148o","","","1.54178","CuKα","","0.0743","0.0579","","0.1738","0.1508","","","","1.051","1.096","1.096","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213430","9.538","0.002","16.348","0.004","8.395","0.002","90","","90","","90","","1309","0.5","123","","123","","","","","","","","ether/ pet. ether solution","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Lindsay, David M.; Scott, James S.; Watson, Stephen P.","Stereochemical and mechanistic features of asymmetric Pauson‒Khand processes","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4366","","10.1039/b006523o","","","0.71069","MoKα","","0.0518","0.0363","","0.0448","0.0429","","","","","1.525","1.525","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213431","9.537","0.003","10.64","0.004","27.931","0.011","90.85","0.02","92.16","0.02","89.99","0.02","2831.9","1.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","NORBORNADIEN EXO","","","- C35 H39 Cl18 N9 Sb2 -","- C36 H24 Cl18 N8 Sb2 -","- C72 H48 Cl36 N16 Sb4 -","2","1","","Wirschun, Wolfgang G.; Al-Soud, Yaseen A.; Nusser, Konstanze A.; Orama, Olli; Maier, Gerd-Michael; Jochims, Johannes C.","Cycloadditions of 1-aza-2-azoniaallene ions to alkenes","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4356","","10.1039/b006525k","","","0.71069","MoKα","","0.072","0.057","","0.3901","0.1558","","","","1.07","0.99","0.99","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213432","6.423","0.003","11.868","0.003","14.006","0.003","90","","93.3","0.03","90","","1065.9","0.6","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C42 H60 O10 Si2 -","2","1","","Banwell, Martin; Hockless, David; Jarrott, Bevyn; Kelly, Brian; Knill, Andrew; Longmore, Robert; Simpson, Gregory","Chemoenzymatic approaches to the decahydro-as-indacene cores associated with the spinosyn class of insecticide","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3555","","10.1039/b006759h","","","1.5418","CuKα","","0.0973","0.0551","","0.0538","","0.0501","","","1.964","","","2.227","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213434","47.033","0.002","11.218","0.0007","10.557","0.0005","90","","92.501","0.004","90","","5564.7","0.5","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N3 O1.5 S -","- C13 H18 N3 O1.5 S -","- C208 H288 N48 O24 S16 -","16","2","","Hawksley, Daniel; Griffin, David A.; Leeper, Finian J.","Synthesis of 3-deazathiamine","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","144","","10.1039/b006962k","","","0.7107","MoKα","","0.1063","0.0851","","","0.2214","0.2368","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213435","10.628","0.005","11.108","0.003","11.442","0.005","71.62","0.03","74.82","0.04","85","0.03","1237.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O7 -","- C24 H28 N4 O7 -","- C48 H56 N8 O14 -","2","1","","Heaney, Frances; Burke, Cathriona; Cunningham, Desmond; McArdle, Patrick","Pyrimidine annelated heterocycles - synthesis and cycloaddition of the first pyrimido[1,4]diazepine N-oxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","6","622","","10.1039/b007163n","","","0.71069","MoKα","","0.1506","0.0836","","","0.219","0.2502","","","","","","0.957","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213436","8.6255","0.0003","9.9353","0.0004","22.5592","0.0007","90","","90","","90","","1933.25","0.12","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N -","- C24 H27 N -","- C96 H108 N4 -","4","1","","Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben","Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4222","","10.1039/b007710k","","","1.54184","CuKα","","0.0322","0.0311","","","0.0809","0.0827","","","","","","1.05","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213437","11.522","0.002","11.522","0.002","50.079","0.009","90","","90","","120","","5757.6","1.8","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C24 H27 N -","- C24 H27 N -","- C288 H324 N12 -","12","0.666667","","Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben","Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4222","","10.1039/b007710k","","","0.71073","MoKα","","0.0744","0.0443","","0.1156","0.1012","","","","1.024","1.093","1.093","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213438","10.615","0.001","14.277","0.001","7.838","0.001","90","","90","","90","","1187.9","0.2","297.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C44 H48 Cl4 N4 O16 -","4","1","","Shi, Min; Jiang, Jian-Kang; Cui, Shi-Cong; Feng, Yan-Shu","Titanium(IV) chloride, zirconium(IV) chloride or boron trichloride and phosphine-promoted Baylis‒Hillman reaction of aldehydes with α,β-unsaturated ketone","Journal of the Chemical Society, Perkin Transactions 1","2001","","4","390","","10.1039/b008105l","","","0.7107","MoKα","","","0.0331","","","","0.0515","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213439","10.023","0.002","11.832","0.002","10.575","0.002","90","","108.29","0.01","90","","1190.8","0.4","293","","193.2","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C21 H34 Br N O4 -","- C21 H34 Br N O4 -","- C42 H68 Br2 N2 O8 -","2","1","","Banwell, Martin G.; Ebenbeck, Wolfgang; Edwards, Alison J.","Ring-fused gem-dibromocyclopropanes as precursors to enantiomerically pure D- and L-series 3-deoxy- and 2-amino-2,3-dideoxyaldohexose derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","114","","10.1039/b008146i","","","1.5418","CuKα","","","0.036","","","","0.0421","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213440","8.3738","0.0017","8.5966","0.0017","10.291","0.002","67.4","0.03","75.08","0.03","67.33","0.03","625.9","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","rosnecatrol tetraacetate","","","- C23 H30 O9 -","- C23 H30 O9 -","- C23 H30 O9 -","1","1","","Edwards, Raymond L.; Maitland, Derek J.; Scowen, Ian J.; De Sousa, Antonio J. T.; Whalley, Anthony J. S.","Metabolites of the higher fungi. Part 32. Rosnecatrone, a phytotoxic bicyclo[4.1.0]hept-3-en-2-one from the fungus Rosellinia necatrix Prill","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","537","","10.1039/b008195g","","","1.54178","CuKα","","0.0372","0.0347","","","0.0911","0.0979","","","","","","1.106","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213443","18.759","0.002","18.759","0.002","12.252","0.0016","90","","90","","120","","3733.9","0.7","213","2","213","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C171 H198 O18 -","9","1","","Bickley, Jamie F.; Gillmore, Adam T.; Roberts, Stanley M.; Skidmore, John; Steiner, Alexander","Synthesis and reactions of some optically active epoxides formally derived from tertiary allylic alcohols","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1109","","10.1039/b008275i","","","0.71073","MoKα","","0.0364","0.0336","","","0.0796","0.0806","","","","","","1.037","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213444","11.362","0.001","4.873","0.0005","13.98","0.0008","90","","100.937","0.006","90","","759.97","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Boesen, Thomas; Feeder, Neil; Eastgate, Martin D.; Fox, David J.; Medlock, Jonathan A.; Tyzack, Charles R.; Warren, Stuart","The chemistry of lithiated phosphine oxides: the stereoselective synthesis of alkene-4,5-diols","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","118","","10.1039/b008500f","","","0.7107","MoKα","","0.0551","0.0425","","0.1003","0.0932","","","","1.058","1.073","1.073","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213446","13.449","0.009","13.597","0.003","16.399","0.009","90","","90","","90","","2999","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Bis(trimethylsilyl)methyl-1,4-dihydro-1,3,5-triazine","","- C10 H23 N3 Si2 -","- C10 H23 N3 Si2 -","- C80 H184 N24 Si16 -","8","2","","Boesveld, W. Marco; Hitchcock, Peter B.; Lappert, Michael F.","Substituted triazines and pyrimidines from 1,3,5-triazine and a lithium amidinate, alkyl- or 1-azaallyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1103","","10.1039/b008681i","","","0.71073","MoKα","","0.0691","0.0474","","0.1144","0.1033","","","","1.031","1.051","1.051","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213447","7.5318","0.0002","13.3032","0.0005","25.6712","0.0005","90","","90","","90","","2572.18","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 Si -","- C30 H36 N2 Si -","- C120 H144 N8 Si4 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0455","0.0414","","","0.1121","0.1161","","","","","","1.056","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213448","26.2381","0.0015","9.292","0.0003","16.1808","0.001","90","","105.905","0.007","90","","3793.9","0.4","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H66 N2 Si3 -","- C36 H66 N2 Si3 -","- C144 H264 N8 Si12 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0497","0.0375","","","0.0818","0.0854","","","","","","0.937","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213449","9.7011","0.0005","11.704","0.0008","14.5936","0.001","96.862","0.008","100.249","0.007","100.163","0.007","1585.37","0.19","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N2 Si -","- C36 H48 N2 Si -","- C72 H96 N4 Si2 -","2","2","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.1156","0.0486","","","0.0874","0.1025","","","","","","0.792","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213459","20.7994","0.0004","10.52","0.0003","19.6241","0.0005","90","","103.703","0.001","90","","4171.72","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cr O4 P3 -","- C48 H39 Cr O4 P3 -","- C192 H156 Cr4 O16 P12 -","4","1","","Gibson (née Thomas), Susan E.; Steed, Jonathan W.; Sur, Surojit","Multiple substitutions on (η6-arene)tricarbonylchromium(0) complexes","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","636","","10.1039/b009639n","","","0.71073","MoKα","","0.053","0.0371","","","0.0835","0.0893","","","","","","1.025","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213460","44.292","0.004","7.662","0.001","14.949","0.001","90","","92.71","","90","","5067.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-cyano-6-(4-chlorophenyl)-4-[Bis(4-fluorophenyl)piperazino]-2H-pyran-2-one","","- C29 H22 Cl F2 N3 O2 -","- C29 H22 Cl F2 N3 O2 -","- C232 H176 Cl8 F16 N24 O16 -","8","1","","Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R.","One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1953","","10.1039/b009725j","","","0.71073","MoKα","","0.1369","0.0584","","","0.124","0.1572","","","","","","1.006","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213461","8.452","0.001","12.398","0.001","21.137","0.002","75.02","0.01","83.19","0.01","81.7","0.01","2109.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-chlorophenyl)-2-(2-pyridyl piperazino)-6-cyclopropyl benzonitrile","","- C25 H23 Cl N4 -","- C25 H23 Cl N4 -","- C100 H92 Cl4 N16 -","4","2","","Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R.","One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1953","","10.1039/b009725j","","","0.71073","MoKα","","0.0821","0.0554","","","0.1427","0.1705","","","","","","0.962","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213462","8.9484","0.001","10.087","0.002","11.163","0.002","78.86","0.02","89.33","0.02","69.04","0.02","921.4","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N8 O2 -","- C16 H19.822 N8 O2 -","- C32 H39.644 N16 O4 -","2","1","","Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P.","Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","485","","10.1039/b009804n","","","0.71073","MoKα","","0.1416","0.0789","","0.2497","0.1842","","","","1.123","1.351","1.351","","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213463","4.6631","0.001","17.102","0.002","9.1625","0.001","90","","93.764","0.01","90","","729.1","0.2","293","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C24 H24 N16 O4 -","4","1","","Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P.","Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","485","","10.1039/b009804n","","","0.71073","MoKα","","0.1097","0.0541","","","0.1006","0.1215","","","","","","1.015","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213464","15.508","0.002","3.832","0.004","30.909","0.002","90","","92.3","0.03","90","","1835.3","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O2 -","- C25 H17 N3 O2 -","- C100 H68 N12 O8 -","4","1","","Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A.","The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","680","","10.1039/b010010m","","","0.6875","synchrotron","","0.0624","0.0507","","","0.1316","0.1371","","","","","","0.981","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213465","25.908","0.005","10.067","0.002","11.851","0.002","90","","103.36","0.03","90","","3007.3","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A.","The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","680","","10.1039/b010010m","","","0.71073","MoKα","","0.0666","0.0515","","","0.1375","0.15","","","","","","1.118","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213471","5.6084","0.0007","13.3595","0.0017","19.118","0.003","90","","90","","90","","1432.4","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Bickley, Jamie F.; Hauer, Bernhardt; Pena, Paula C. A.; Roberts, Stanley M.; Skidmore, John","The semi-pinacol rearrangement of homochiral epoxyalcohols catalysed by rare earth triflates","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1253","","10.1039/b101838h","","","0.71073","MoKα","","0.0658","0.0333","","","0.0608","0.0661","","","","","","0.772","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213472","10.765","0.004","9.013","0.004","12.835","0.005","90","","111.43","0.03","90","","1159.2","0.8","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Alexander (née Gillon), Karen; Cook, Stuart; Gibson, Colin L.; Kennedy†, Alan R.","Highly effective and recyclable chiral auxiliaries: a study of the synthesis and use of three 4-isopropyl-5,5-diaryloxazolidin-2-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1538","","10.1039/b102020j","","","0.71069","MoKα","","0.1243","0.0635","","","0.1583","0.189","","","","","","1.018","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213478","27.44","0.002","8.192","0.001","21.428","0.001","90","","106.25","0.01","90","","4624.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21.5 Cl1.5 F O -","- C28.5 H21.5 Cl1.5 F O -","- C228 H172 Cl12 F8 O8 -","8","1","","Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter","Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes†","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1929","","10.1039/b102684b","","","1.54178","CuKα","","0.0783","0.0653","","0.2062","0.18","","","","1.032","1.041","1.041","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213479","28.038","0.007","10.358","0.004","16.719","0.005","90","","122.83","0.02","90","","4080","2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 F O -","- C28 H21 F O -","- C224 H168 F8 O8 -","8","1","","Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter","Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes†","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1929","","10.1039/b102684b","","","0.71073","MoKα","","0.1589","0.0563","","0.1726","0.1238","","","","0.935","1.084","1.084","","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213480","7.976","0.003","9.399","0.004","24.084","0.011","90","","90","","90","","1805.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β,14β-oxido-20-hydroxy-17(13->18)abeo-4-pregnen-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1194","0.0526","","","0.0902","0.114","","","","","","0.95","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213481","7.518","0.002","16.476","0.006","17.818","0.008","90","","90","","90","","2207.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β-methoxy-14α-hydroxy-20-acetyloxy-17(13->18)abeo-4-pregnen-3-one","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1824","0.0649","","","0.0793","0.1052","","","","","","0.932","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213482","7.887","0.003","12.51","0.002","20.083","0.006","90","","90","","90","","1981.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20R)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.0409","0.0319","","","0.0783","0.0831","","","","","","1.043","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213483","6.6963","0.0019","11.819","0.003","24.686","0.007","90","","90","","90","","1953.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20S)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.11","0.0561","","","0.1443","0.1748","","","","","","1.063","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213484","15.0943","0.001","10.1836","0.0007","17.828","0.0011","90","","96.189","0.003","90","","2724.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5S)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-4'-[2R,5R)-2,5-dihydro-2- isopropyl-3,6-dimethoxypyrazine-5-spiro(cyclo-2'-penten-2'-yl]pyrazine-5- spiro(cyclo-3'-hexene)","","- C27 H40 N4 O4 -","- C27 H40 N4 O4 -","- C108 H160 N16 O16 -","4","2","","Efskind, Jon; Römming, Christian; Undheim, Kjell","Stereocontrolled construction of rigid tricyclic bis(α-amino acid) derivatives by Ru(Ii)-catalyzed cascade and Diels–Alder reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2697","","10.1039/b103254m","","","0.71073","MoKα","","0.0645","0.042","","","0.0909","0.0994","","","","","","0.953","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213485","5.713","0.002","31.811","0.012","9.9","0.004","90","","98.246","0.009","90","","1780.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C76 H64 N8 O20 S4 -","4","1","","Brown, Giles A.; Anderson, Kirsty M.; Large, Jonathan M.; Planchenault, Denis; Urban, Dominique; Hales, Neil J.; Gallagher, Timothy","Trapping highly reactive dipolarophiles. Exploiting the mechanism associated with the azomethine ylide strategy for β-lactam synthesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1897","","10.1039/b103271m","","","0.71073","MoKα","","0.1992","0.0707","","","0.1204","0.1635","","","","","","0.911","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213486","9.1807","0.0019","11.696","0.002","13.88","0.003","90","","105.103","0.004","90","","1438.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","meso-3,3'-dioxo-6,7,6',7'-tetrahydro- 5H,5H'-[2,2']bi([1,3]thiazolo[3,2-a]pyridinyl)-2,2',8,8'-tetracarboxylate","","- C26 H32 N2 O10 S2 -","- C26 H32 N2 O10 S2 -","- C52 H64 N4 O20 S4 -","2","0.5","","Michael, Joseph P.; de Koning, Charles B.; van der Westhuyzen, Christiaan W.; Fernandes, Manuel A.","Influence of ring size on the outcome of sulfide contraction reactions with thiolactams. Isolation of bicyclic ketene S,N-acetals and thioisomünchnones","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2055","","10.1039/b103560f","","","0.71073","MoKα","","0.1044","0.0516","","","0.1381","0.16","","","","","","1.028","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213487","8.141","0.001","11.23","0.001","14.131","0.002","90","","101.22","0.01","90","","1267.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B0 F6 N2 P -","- C8 H17 F6 N2 P -","- C32 H68 F24 N8 P4 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0654","0.0509","","0.1456","","0.1319","","","1.048","","","1.078","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213488","8.996","0.002","9.238","0.002","11.992","0.002","90.02","0.02","91.36","0.02","112.5","0.02","920.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 F3 N2 O3 S -","- C14 H29 F3 N2 O3 S -","- C28 H58 F6 N4 O6 S2 -","2","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.08","0.0572","","0.1662","","0.1569","","","1.129","","","1.312","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213489","9.61","0.002","12.226","0.003","14.09","0.002","90","","90","","90","","1655.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C48 H100 F24 N8 P4 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0793","0.0593","","0.1777","","0.1725","","","1.026","","","1.354","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213490","18.086","0.0003","9.7339","0.0001","7.6426","0.0002","90","","90","","90","","1345.46","0.04","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H21 B F4 N2 -","- C11 H21 B F4 N2 -","- C44 H84 B4 F16 N8 -","4","0.5","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0668","0.0525","","0.1657","","0.1568","","","1.112","","","1.227","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213491","11.3218","0.0013","17.9","0.002","24.468","0.004","90","","90","","90","","4958.7","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H30 F6 N2 O7 S2 -","- C16 H30 F6 N2 O7 S2 -","- C128 H240 F48 N16 O56 S16 -","8","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0914","0.0472","","0.1086","","0.0841","","","1.134","","","1.123","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213492","12.0943","0.0002","16.0992","0.0001","16.4556","0.0001","90","","90","","90","","3204.05","0.06","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H22 F6 N3 P -","- C12 H22 F6 N3 P -","- C96 H176 F48 N24 P8 -","8","2","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0486","0.0398","","0.1088","","0.1009","","","1.094","","","1.09","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213493","10.257","0.002","28.375","0.005","10.59","0.002","90","","112.21","0.03","90","","2853.5","1.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C160 H120 N8 -","4","1","","Groundwater, Paul W.; Garnett, Ian; Morton, Andrew J.; Sharif, Toqir; Coles, Simon J.; Hursthouse, Michael B.; Nyerges, Miklos; Anderson, Rosaleen J.; Bendell, David; McKillop, Alexander; Zhang, Weimin","A novel synthesis of imidazoles via the cycloaddition of nitrile ylides to their imidoyl chloride precursors","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2781","","10.1039/b104130b","","","0.71073","MoKα","","0.1598","0.0626","","","0.1374","0.1863","","","","","","0.888","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213494","24.555","0.003","8.5576","0.0011","6.714","0.0008","90","","98.416","0.01","90","","1395.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 N2 O9 -","- C12 H18 N2 O9 -","- C48 H72 N8 O36 -","4","1","","Ravn, Jacob; Thorup, Niels; Nielsen, Poul","A conformationally locked tricyclic nucleoside. Synthesis, crystal structure and incorporation into oligonucleotides","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1855","","10.1039/b104438a","","","0.71073","MoKα","","0.027","0.0262","","","0.0685","0.069","","","","","","1.04","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213496","13.347","0.002","13.738","0.002","14.152","0.002","90","","90","","90","","2594.9","0.7","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 B2 N4 P2 -","- C22 H42 B2 N4 P2 -","- C88 H168 B8 N16 P8 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.0743","0.0493","","0.1044","0.0941","","","","1.037","1.064","1.064","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213497","8.3","0.004","13.789","0.005","14.553","0.005","90","","90","","90","","1665.6","1.2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 B N2 O P -","- C15 H26 B N2 O P -","- C60 H104 B4 N8 O4 P4 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.1065","0.0637","","0.1124","0.0973","","","","1.068","1.114","1.114","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213498","9.023","0.003","11.0408","0.0016","16.112","0.003","90","","90","","90","","1605.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C68 H68 N4 O28 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0923","0.0501","","","0.1128","0.1251","","","","","","0.975","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213499","9.917","0.002","11.62","0.003","13.983","0.004","90","","107.4","0.02","90","","1537.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C56 H60 N4 O32 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0729","0.0365","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213500","13.8726","0.0009","30.229","0.003","9.8793","0.0006","90","","90","","90","","4142.9","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H20 F3 N5 O6 -","- C19 H20 F3 N5 O6 -","- C152 H160 F24 N40 O48 -","8","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","1.54178","CuKα","","0.1002","0.0638","","0.1932","0.1602","","","","1.035","1.084","1.084","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213501","37.962","0.004","12.6553","0.0008","9.5517","0.0009","90","","91.589","0.008","90","","4587.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N7 O5 -","- C23 H27 N7 O5 -","- C184 H216 N56 O40 -","8","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","1.54178","CuKα","","0.0863","0.0628","","0.1798","0.1547","","","","1.057","1.065","1.065","","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213502","6.7111","0.0002","9.2637","0.0005","15.5593","0.0008","103.438","0.002","98.437","0.003","102.274","0.003","899.54","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N6 O4 -","- C18 H18 N6 O4 -","- C36 H36 N12 O8 -","2","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","0.71073","MoKα","","0.0567","0.0431","","","0.1108","0.1206","","","","","","1.018","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213506","6.225","0.001","10.446","0.001","12.497","0.002","85.74","0.01","87.21","0.01","83.12","0.01","803.9","0.2","295","","295","","","","","","","","?","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Hodgson, David M.; Maxwell, Christopher R.; Wisedale, Richard; Matthews, Ian R.; Carpenter, Kate J.; Dickenson, Anthony H.; Wonnacott, Susan","6-Substituted 2-azabicyclo[2.2.1]hept-5-enes by nitrogen-directed radical rearrangement: synthesis of an epibatidine analogue with high binding affinity at the nicotinic acetylcholine receptorElectronic supplementary information (ESI) available: details of biological studies. See http://www.rsc.org/suppdata/p1/b1/b107414h/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3150","","10.1039/b107414h","","","1.5418","CuKα","","","0.0597","","","0.0643","","","","","1.0912","1.0912","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213511","7.5959","0.0006","11.2333","0.001","10.9437","0.0009","90","","99.459","0.002","90","","921.1","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Br N O -","- C9 H14 Br N O -","- C36 H56 Br4 N4 O4 -","4","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0397","0.0289","","","0.07","0.0731","","","","","","0.973","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213512","7.9285","0.0007","15.3908","0.0013","8.6509","0.0007","90","","92.781","0.002","90","","1054.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br2 N O2 -","- C9 H11 Br2 N O2 -","- C36 H44 Br8 N4 O8 -","4","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0321","0.026","","","0.0659","0.0675","","","","","","1.045","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213513","7.471","0.003","7.526","0.004","9.411","0.004","70.19","0.03","68.2","0.03","62.54","0.03","426.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C18 H16 Br2 N2 O2 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0578","0.0426","","","0.0891","0.0986","","","","","","1.18","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213514","6.5196","0.0009","8.205","0.001","10.465","0.002","100.683","0.002","97.512","0.003","112.135","0.003","497.04","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Br2 N O2 -","- C9 H11 Br2 N O2 -","- C18 H22 Br4 N2 O4 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0518","0.0439","","","0.12","0.125","","","","","","1.02","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213515","7.095","0.0014","7.9444","0.0016","10.663","0.002","77.401","0.004","79.163","0.003","66.936","0.003","536.14","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Br3 N O -","- C9 H10 Br3 N O -","- C18 H20 Br6 N2 O2 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0484","0.0425","","","0.1123","0.1151","","","","","","1.02","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213516","11.049","0.003","14.876","0.004","13.085","0.003","90","","109.177","0.005","90","","2031.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Br2 N O -","- C9 H9 Br2 N O -","- C72 H72 Br16 N8 O8 -","8","2","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0609","0.0338","","","0.0571","0.0603","","","","","","1.064","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213517","8.442","0.002","12.466","0.004","21.904","0.007","90","","90","","90","","2305.1","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(tetra-2',3',4',6'-O-acetyl-β-D-glucosyloxy)ethyl methacrylate","","- C20 H28 O12 -","- C20 H28 O12 -","- C80 H112 O48 -","4","1","","Moira Ambrosi; Andrei S. Batsanov; Neil R. Cameron; Benjamin G. Davis; Judith A. K. Howard; Rob Hunter","Influence of preparation procedure on polymer composition: synthesis and characterisation of polymethacrylates bearing β-D-glucopyranoside and β-D-galactopyranoside residues","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","45","52","10.1039/b108421f","","","0.71073","MoKα","","0.0404","0.0365","","","0.0938","0.0971","","","","","","1.051","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213518","5.6341","0.0017","10.142","0.004","18.013","0.007","90","","90","","90","","1029.3","0.6","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiane-1-oxide","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0356","0.0301","","","0.0737","0.0776","","","","","","1.045","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213519","5.2634","0.0007","10.0356","0.0014","10.9997","0.0015","90","","97.184","0.002","90","","576.46","0.14","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(1S,2R)-3-(1'S,2'S-1'-oxo-1',3'-dithian-2'-yl)cyclohexa-3,5-diene-1,2-diol","","- C10 H14 O3 S2 -","- C10 H14 O3 S2 -","- C20 H28 O6 S4 -","2","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0395","0.0364","","","0.0903","0.0921","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213520","6.2383","0.0005","8.6358","0.0007","17.1061","0.0013","90","","90","","90","","921.55","0.13","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiolane-1-oxide","","- C9 H10 O S2 -","- C9 H10 O S2 -","- C36 H40 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0324","0.0305","","","0.0695","0.0702","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213521","5.326","0.001","8.844","0.001","18.602","0.003","90","","90","","90","","876.2","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-(1S,2R)-3-(R-methylsulfinylmethyl)cyclohexa-3,5-diene-1,2-diol","","- C8 H12 O3 S -","- C8 H12 O3 S -","- C32 H48 O12 S4 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.043","0.0357","","","0.0882","0.0933","","","","","","1.114","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213534","20.31","0.004","20.31","0.004","13.971","0.003","90","0.02","90","0.02","90","0.02","5763","2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C59 H68 Cl40 N12 O4 Sb4 -","- C59 H64 Cl40 N12 O4 Sb4 -","- C118 H128 Cl80 N24 O8 Sb8 -","2","0.25","","Wang, Quanrui; Yang, Haiyan; Liu, Yi; Ding, Zongbiao; Tao, Fenggang","A facile route to poly[1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-5-yl]alkane derivatives","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","991","","10.1039/b110059a","","","0.71069","MoKα","","0.2063","0.0796","","","0.228","0.304","","","","","","1.016","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213535","7.939","0.002","14.627","0.003","29.719","0.006","90","","90","","90","","3451.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8, 8-tetramethyl-6b-({[(3S)-2-oxotetrahydro-3-furanyl]sulfanyl}acetyl)-4a,4b,5,6, 6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3] dioxol-2-one","","- C28 H34 F2 O7 S -","- C36 H34 F2 O7 S -","- C144 H136 F8 O28 S4 -","4","1","","Angell, Richard M.; Biggadike, Keith; Farrell, Rosanne M.; Flack, Stephen S.; Hancock, Ashley P.; Irving, Wendy R.; Lynn, Sean M.; Procopiou, Panayiotis A.","Novel glucocorticoid antedrugs possessing a 21-(γ-lactone) ring","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","831","","10.1039/b200190j","","","1.54178","CuKα","","0.108","0.0684","","0.1917","0.162","","","","1.04","1.116","1.116","","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213536","14.03","0.003","12.956","0.004","14.047","0.003","90","","114.457","0.013","90","","2324.3","1","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RWX0256/Wilson/NW-D003/5107/15-5-97.","","","- C27 H34 N2 O -","- C27 H34 N2 O -","- C108 H136 N8 O4 -","4","1","","Clayden, Jonathan; Pink, Jennifer H.; Westlund, Neil; Frampton, Christopher S.","Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","901","","10.1039/b200358a","","","0.71073","MoKα","","0.0412","0.038","","","0.096","0.0995","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213537","7.4893","0.0018","13.585","0.004","11.005","0.004","90","","99.39","0.02","90","","1104.7","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","RWX0315/Wilson/NW-C076-2/5107/28-9-98.","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Clayden, Jonathan; Pink, Jennifer H.; Westlund, Neil; Frampton, Christopher S.","Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","901","","10.1039/b200358a","","","0.71073","MoKα","","0.0405","0.0363","","","0.0891","0.0917","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213538","11.35","0.002","12.9829","0.0018","14.928","0.003","71.775","0.012","79.479","0.016","70.577","0.016","1962.9","0.6","123","1","123","1","","","","","","","","4","P -1","-P 1","2","RWX0315/Wilson/NW-F051/5107/16-7-98.","","","- C46 H55 N3 O -","- C46 H55 N3 O -","- C92 H110 N6 O2 -","2","1","","Clayden, Jonathan; Pink, Jennifer H.; Westlund, Neil; Frampton, Christopher S.","Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","901","","10.1039/b200358a","","","0.71073","MoKα","","0.0522","0.0416","","","0.1062","0.1144","","","","","","1.015","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213539","8.117","0.006","19.978","0.007","19.981","0.008","90","","92.91","0.05","90","","3236","3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","2","","Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S.","Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","865","","10.1039/b201525k","","","0.7107","MoKα","","","0.1254","","","","0.3288","","","","","","1.414","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213540","8.254","0.009","14.99","0.01","8.05","0.01","102.1","0.1","111.99","0.09","78.4","0.09","894.7","1.7","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O6 -","- C21 H17 N O6 -","- C42 H34 N2 O12 -","2","1","","Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S.","Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","865","","10.1039/b201525k","","","0.7107","MoKα","","","0.054","","","","0.1518","","","","","","1.268","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213541","9.744","0.005","16.192","0.008","12.099","0.006","90","","95.72","0.04","90","","1899.4","1.7","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N2 Na O4 S -","- C20 H17 N2 Na O4 S -","- C80 H68 N8 Na4 O16 S4 -","4","1","","Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S.","Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","865","","10.1039/b201525k","","","0.7107","MoKα","","","0.0483","","","","0.139","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216614","8.597","0.001","10.12","0.001","13.311","0.001","92.15","0.01","101.98","0.01","114.11","0.01","1024.3","0.2","295","2","","","","","","","","","Novum /recryst. from DMF","5","P 1","P 1","1","","","","- C19 H17 N3 O S4 -","- C19 H17 N3 O S4 -","- C38 H34 N6 O2 S8 -","2","2","","Janosik, Tomasz; Bergman, Jan; Stensland, Birgitta; Stålhandske, Claes","Thionation of bisindole derivatives with P4S10 or elemental sulfur","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","330","","10.1039/b109840c","","","0.71073","MoKα","","0.087","0.039","","0.055","0.054","0.054","","","0.999","1.015","1.015","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216615","8.909","0.001","15.535","0.001","12.651","0.001","90","0.01","101.26","0.01","90","0.01","1717.2","0.3","295","2","","","","","","","","","Novum / recryst. from acetonitrile","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Janosik, Tomasz; Bergman, Jan; Stensland, Birgitta; Stålhandske, Claes","Thionation of bisindole derivatives with P4S10 or elemental sulfur","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","330","","10.1039/b109840c","","","0.71073","MoKα","","0.102","0.036","","0.04","0.036","0.036","","","1.939","1.409","1.409","1.409","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216866","8.159","0.003","17.37","0.005","21.182","0.007","90","","90","","90","","3002","1.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl F6 N3 Ru Sb -","- C29 H29 Cl F6 N3 Ru Sb -","- C116 H116 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0742","0.0471","","","0.0931","0.1064","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216867","8.566","0.003","17.569","0.008","20.345","0.005","90","","90","","90","","3061.8","1.9","195","2","195","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl F6 N3 Ru Sb -","- C30 H31 Cl F6 N3 Ru Sb -","- C120 H124 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0615","0.0461","","","0.105","0.113","","","","","","1.038","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216868","6.5627","0.0002","6.6924","0.0002","8.2274","0.0003","72.83","0.002","87.467","0.002","82.367","0.002","342.18","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","[CH3CH2C(NH2)2][NO3]","","","- C3 H9 N3 O3 -","- C3 H9 N3 O3 -","- C6 H18 N6 O6 -","2","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0356","0.0338","","","0.0873","0.0892","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216869","6.4444","0.0004","17.513","0.0015","6.8157","0.0005","90","","98.265","0.005","90","","761.24","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CH3(CH2)2(NH2)2][NO3]","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0625","0.0557","","","0.1442","0.1485","","","","","","1.154","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216870","6.4391","0.0002","6.7648","0.0002","10.527","0.004","73.655","0.002","81.477","0.002","82.105","0.002","432.94","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","[CH3(CH2)3C(NH2)2][NO3]","","","- C5 H13 N3 O3 -","- C5 H13 N3 O3 -","- C10 H26 N6 O6 -","2","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0393","0.037","","","0.0934","0.0957","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216871","7.8179","0.001","12.7715","0.0008","7.9825","0.0006","90","","117.723","0.009","90","","705.53","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(H2O)4(MeCN)2][NO3]","","","- C2 H7 Co0.5 N2 O5 -","- C2 H7 Co0.5 N2 O5 -","- C8 H28 Co2 N8 O20 -","4","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71069","MoKα","","0.0755","0.0459","","","0.1044","0.124","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216872","24.012","0.003","7.609","0.001","15.758","0.002","90","","105.89","0.01","90","","2769.1","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F3 N3 O -","- C15 H12 F3 N3 O -","- C120 H96 F24 N24 O8 -","8","1","","Atkinson, Robert S.; Meades, Christopher K.","Aziridination of cyclic dienes with enantiopure 3-acetoxyaminoquinazolin-4(3H)-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1518","","10.1039/b102592a","","","0.71073","MoKα","","0.088","0.0704","","0.2323","0.2078","","","","1.078","1.135","1.135","","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216873","10.242","0.002","10.242","0.002","17.385","0.003","90","","90","","90","","1823.7","0.6","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Atkinson, Robert S.; Meades, Christopher K.","Aziridination of cyclic dienes with enantiopure 3-acetoxyaminoquinazolin-4(3H)-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1518","","10.1039/b102592a","","","0.71073","MoKα","","0.0443","0.0358","","","0.0909","0.0972","","","","","","1.03","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216874","9.751","0.001","18.486","0.001","14.7287","0.0006","90","","115.759","0.0004","90","","2391.1","0.3","293.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 Cl3 O2 -","- C11 H9 Cl3 O2 -","- C88 H72 Cl24 O16 -","8","2","","Yokoyama, Ryuji; Ito, Shunji; Watanabe, Masataka; Harada, Nobuyuki; Kabuto, Chizuko; Morita, Noboru","[2 + 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2257","","10.1039/b104164a","","","0.7107","MoKα","","","0.0408","","","","0.0421","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216875","6.6011","0.0005","16.1185","0.001","14.513","0.001","90","","91.431","0.007","90","","1543.7","0.18","243","","243","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Blaauw, Richard H.; Benningshof, Jorg C. J.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Hiemstra, Henk","Intramolecular [2+2] photocycloadditions as an approach towards the right-hand side of solanoeclepin A","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2250","","10.1039/b104165g","","","1.5418","CuKα","","0.06","0.05","","0.057","","0.053","","","0.896","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216876","9.968","0.002","10.083","0.002","12.633","0.001","90","","105.15","0.01","90","","1225.6","0.4","193.2","","193.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O9 -","- C25 H30.22 O9 -","- C50 H60.44 O18 -","2","1","","Banwell, Martin G.; McRae, Kenneth J.; Willis, Anthony C.","A chemoenzymatic synthesis of the carbobicyclic core associated with CP-225,917 and CP-263,114 (phomoidrides A and B)","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2194","","10.1039/b105376k","","","1.5418","CuKα","","0.0567","0.0525","","0.0444","","0.044","","","2.839","","","2.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216877","6.794","0.005","8.125","0.006","11.675","0.004","90","","103.6","0.04","90","","626.4","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Matsuyama, Haruo; Itoh, Nobuhiro; Matsumoto, Aoi; Ohira, Nahoko; Hara, Kenji; Yoshida, Masato; Iyoda, Masahiko","Conjugate addition of 6-membered hydrazine to chiral tert-butyl (E)-2-(p-tolylsulfinyl)cinnamates. Synthesis of (S)-celacinnine","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2924","","10.1039/b107443c","","","0.7107","MoKα","","","0.0453","","","","0.0646","","","","","","1.246","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216878","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Yamada, Takeshi; Iritani, Masashi; Doi, Mitsunobu; Minoura, Katsuhiko; Ito, Tadayoshi; Numata, Atsushi","Absolute stereostructures of cell-adhesion inhibitors, macrosphelides C, E–G and I, produced by a Periconia species separated from an Aplysia sea hare","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3046","","10.1039/b104337b","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216879","8.8741","0.0004","20.104","0.001","12.2989","0.0006","90","","101.637","0.001","90","","2149.08","0.18","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C96 H92 Br4 O24 -","4","1","","Rozek, Tomas; Bowie, John H.; Pyke, Simon M.; Skelton, Brian W.; White, Allan H.","A regio- and stereo-selective synthesis of 2-hydroxy-3-methylochromycinone in three steps from 2-bromo-5-acetoxy-1,4-naphthoquinone and 1-acetoxy-3,3-dimethyl-5-vinylcyclohexa-1,5-diene†","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1826","","10.1039/b101756j","","","0.71073","MoKα","","0.064","0.03","","0.031","","0.028","","","0.894","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216880","13.645","0.002","6.18","0.001","18.791","0.003","90","","94.73","0.01","90","","1579.2","0.4","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 N O3 Si -","- C13 H23 N O3 Si -","- C52 H92 N4 O12 Si4 -","4","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.1247","0.0678","","","0.1551","0.188","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216881","14.546","0.001","6.262","0.001","35.155","0.003","90","","98.72","0.01","90","","3165.2","0.6","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H25 N O4 Si -","- C13 H25 N O4 Si -","- C104 H200 N8 O32 Si8 -","8","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.051","0.049","","","0.1297","0.1329","","","","","","1.04","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216882","8.48","0.001","9.322","0.002","20.143","0.003","90","","90","","90","","1592.3","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 B N O4 -","- C15 H24 B N O4 -","- C60 H96 B4 N4 O16 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0447","0.0362","","","0.0866","0.0955","","","","","","1.08","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216883","9.649","0.001","9.649","0.001","20.808","0.001","90","","90","","90","","1937.3","0.3","290","2","290","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H24 N2 O6 S2 -","- C16 H24 N2 O6 S2 -","- C64 H96 N8 O24 S8 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0936","0.0665","","","0.1805","0.1912","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216884","12.132","0.004","8.462","0.003","18.708","0.006","90","","102.806","0.005","90","","1872.8","1.1","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Katritzky, Alan R.; Xu, Yong-Jiang; He, Hai-Ying; Steel, Peter J.","Stereoselective syntheses of 1H-imidazo[2,1-a]isoindole-2,5(3H,9bH)-diones†","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1767","","10.1039/b104060j","","","0.71073","MoKα","","0.0521","0.0345","","","0.0814","0.0861","","","","","","0.963","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216885","9.148","0.004","14.796","0.004","16.223","0.004","90","","104.75","0.02","90","","2123.5","1.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Br4 -","- C24 H12 Br4 -","- C96 H48 Br16 -","4","1","","Humayun Kabir, S. M.; Hasegawa, Masashi; Kuwatani, Yoshiyuki; Yoshida, Masato; Matsuyama, Haruo; Iyoda, Masahiko","Synthesis of biphenylenes and tetraphenylenes using copper-catalyzed coupling of arylzinc intermediates","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","159","","10.1039/b006375o","","","0.7107","MoKα","","","0.0375","","","","0.0358","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216886","11.665","0.001","9.667","0.001","16.1","0.001","90","","98.06","0.007","90","","1797.6","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Kishikawa, Keiki; Naruse, Mamoru; Kohmoto, Shigeo; Yamamoto, Makoto; Yamaguchi, Kentaro","Investigation of arene‒arene interaction in stereoselective MCPBA epoxidation","Journal of the Chemical Society, Perkin Transactions 1","2001","","4","462","","10.1039/b004098n","","","1.5418","CuKα","","","0.0591","","","0.0614","","","","","1.911","1.911","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216887","8.954","0.002","19.678","0.003","8.877","0.002","90","","117.93","0.02","90","","1381.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-bis(diphenylphosphino)-2,2'-bithiophene","","- C32 H24 P2 S2 -","- C32 H24 P2 S2 -","- C64 H48 P4 S4 -","2","0.5","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.0516","0.0411","","","0.1168","0.1298","","","","","","1.103","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216888","9.032","0.002","13.312","0.003","13.577","0.003","85.853","0.018","82.694","0.019","73.772","0.018","1553.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,6-bis[(5'-diphenylphosphino)-2'-thienyl]pyridine","","- C37 H27 N P2 S2 -","- C37 H27 N P2 S2 -","- C74 H54 N2 P4 S4 -","2","1","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.0589","0.0366","","","0.09","0.099","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216889","8.408","0.005","15.978","0.006","20.402","0.007","90","","101.11","0.04","90","","2689","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenyl[5-(2'-{6'-diphenylphosphino}pyridyl)-2-thienyl]phosphine","","- C33 H25 N P2 S -","- C33 H25 N P2 S -","- C132 H100 N4 P8 S4 -","4","1","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.1271","0.0517","","","0.0831","0.1246","","","","","","1.187","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216890","13.818","0.003","16.4","0.006","14.252","0.003","90","","106.1","0.02","90","","3103","1.5","298","","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'4,4'6,6'-hexaiodo-1,1'-biphenyl-3,3',5,5'-tetrol","","- C21 H22 I6 O7 -","- C21 H4 I6 O7 -","- C84 H16 I24 O28 -","4","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0691","0.0497","","","0.1202","0.1325","","","","","","1.05","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216891","33.1","0.03","9.3","0.02","24.23","0.01","90","","124.92","0.07","90","","6116","15","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3',5,5'-tetraethoxy-2,2',4,4',6,6'-hexaiodo-1,1'-biphenyl","","- C20 H20 I6 O4 -","- C20 H20 I6 O4 -","- C160 H160 I48 O32 -","8","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.1311","0.0974","","","0.2147","0.2391","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216892","21.361","0.006","29.226","0.006","8.776","0.003","90","","90","","90","","5479","3","298","","298","","","","","","","","","4","C c c 2","C 2 -2c","37","","3,3'-[(2,2',4,4',6,6'-hexaiodo-1,1'-biphenyl)-3,3' diylbis(oxy)]bis(1,2-propanediol)","","- C18 H16 I6 O6 -","- C18 H10 I6 O6 -","- C144 H80 I48 O48 -","8","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0869","0.068","","","0.1952","0.2101","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216893","30.542","0.009","12.114","0.002","7.3571","0.001","90","","90","","90","","2722","1","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C112 H112 N48 O8 -","8","1","","Al-Azmi, Amal; Booth, Brian L.; Carpenter, Robert A.; Carvalho, Alice; Marrelec, Elodie; Pritchard, Robin G.; Proença, M. Fernanda J. R. P.","Facile synthesis of 6-cyano-9-substituted-9H-purines and their ring expansion to 8-(arylamino)-4-imino-3-methylpyrimidino[5,4-d]pyrimidines","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2532","","10.1039/b106539b","","x-ray","1.54178","CuKα","","0.1572","0.0558","","","0.1258","0.1703","","","","","","0.956","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7216894","8.8661","0.0012","10.557","0.0018","14.267","0.003","110.513","0.016","94.713","0.013","91.063","0.012","1244.9","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.78 H24.99 Cl1.1 N2 O P S -","- C26.796 H25.007 Cl1.102 N2 O P S -","- C53.592 H50.014 Cl2.204 N4 O2 P2 S2 -","2","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","0.71069","MoKα","","0.0704","0.061","","","0.1813","0.1918","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216895","16.037","0.002","7.628","0.001","26.332","0.002","90","","93.86","0.01","90","","3213.9","0.6","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl2 N4 O P S -","- C33 H28.853 Cl2 N4 O P S -","- C132 H115.412 Cl8 N16 O4 P4 S4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","0.71069","MoKα","","0.1586","0.0543","","","0.1084","0.1432","","","","","","0.99","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216896","5.809","0.004","18.173","0.007","11.54","0.005","90","","96.99","0.04","90","","1209.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","1.54178","CuKα","","0.075","0.0448","","","0.1322","0.155","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216897","18.942","0.004","20.515","0.003","4.6558","0.001","90","","90","","90","","1809.2","0.6","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","x-ray","1.54178","CuKα","","0.1883","0.085","","","0.1656","0.2121","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216898","21.765","0.007","14.725","0.006","11.857","0.006","90","","90","","90","","3800","3","299.2","","299.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O3 S2 -","- C20 H28 O3 S2 -","- C160 H224 O24 S16 -","8","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","1.5418","CuKα","","0.1125","0.094","","0.092","","0.092","","","6.141","","","6.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216899","9.055","0.003","9.055","0.003","18.635","0.006","90","","90","","90","","1527.9","0.9","299.2","","299.2","","","","","","","","","3","P 43","P 4cw","78","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","0.7107","MoKα","","0.0678","0.033","","0.037","","0.033","","","1.285","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216900","6.942","0.007","27.82","0.01","7.998","0.004","90","","94.95","0.07","90","","1538.9","1.8","299.2","","299.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","0.7107","MoKα","","0.2044","0.093","","0.1","","0.094","","","2.292","","","3.21","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216901","7.445","0.002","10.865","0.002","13.339","0.001","90","","100.69","0.01","90","","1060.3","0.4","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O Se -","- C23 H27 N O Se -","- C46 H54 N2 O2 Se2 -","2","1","","Murai, Toshiaki; Suzuki, Akiko; Kato, Shinzi","Aldol-type condensation reactions of lithium eneselenolates generated from selenoamides with aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2711","","10.1039/b100198l","","","0.7107","MoKα","","","0.0487","","","","0.068","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216902","18.8106","0.0012","6.9928","0.0005","13.7165","0.0009","90","","109.118","0.003","90","","1704.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-7,7-ethylenedioxospiro[4,5]decan-3-en-1-yl p-nitrobenzoate","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C76 H84 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0643","0.0481","","","0.1272","0.1433","","","","","","1.037","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216903","19.2045","0.0019","6.591","0.0007","15.0144","0.0015","90","","109.515","0.004","90","","1791.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-8,8-ethylenedioxospiro[4,6]undecan-4-en-1-yl p-nitrobenzoate","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0688","0.0437","","","0.0983","0.1076","","","","","","1.025","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216904","6.856","0.0007","12.8358","0.0014","20.535","0.002","90","","96.055","0.004","90","","1797","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-7,7-ethylenedioxospiro[5,5]undecan-3-en-1-yl p-nitrobenzoate","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0637","0.0467","","","0.124","0.136","","","","","","1.048","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216905","8.3205","0.0008","12.5407","0.0011","18.952","0.0019","99.019","0.004","98.985","0.004","102.447","0.004","1869.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","cis-8,8-ethylenedioxospiro[5,6]dodekan-3-en-1-yl p-nitrobenzoate","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.1304","0.0981","","","0.2874","0.3095","","","","","","1.107","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216906","7.0992","0.0001","18.2612","0.0003","16.496","0.0003","90","","100.472","0.001","90","","2102.92","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methyl-4,6-diphenyl-2-dicyanomethylene-1,2,5,6-tetrahydronicotinonitrile","","- C25 H22 N4 O -","- C25 H22 N4 O -","- C100 H88 N16 O4 -","4","1","","Karlsen, Hege; Songe, Pål H.; Sunsby, Lise Kristin; Hagen, Lise Cathrine; Kolsaker, Per; Rømming, Christian","Regiochemistry in alkylation, acylation and methoxycarbonylation of alkali salts from 2-substituted alkenylpropanedinitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","497","","10.1039/b009175h","","","0.71073","MoKα","","0.0764","0.0564","","","0.1424","0.1572","","","","","","1.086","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216907","10.4135","0.0002","7.6259","0.0002","14.178","0.0003","90","","96.326","0.001","90","","1119.05","0.04","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-methyl(1-phenylpropenyl)propanedinitrile","","- C13 H12 N2 -","- C13 H12 N2 -","- C52 H48 N8 -","4","1","","Karlsen, Hege; Songe, Pål H.; Sunsby, Lise Kristin; Hagen, Lise Cathrine; Kolsaker, Per; Rømming, Christian","Regiochemistry in alkylation, acylation and methoxycarbonylation of alkali salts from 2-substituted alkenylpropanedinitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","497","","10.1039/b009175h","","","0.71073","MoKα","","0.0564","0.0487","","0.1247","0.1202","","","","1.069","1.107","1.107","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216908","8.014","0.004","8.438","0.004","18.463","0.01","89.99","0.02","82.22","0.04","78.06","0.04","1209.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H35 N3 O9 -","- C21 H35 N3 O9 -","- C42 H70 N6 O18 -","2","1","","Brown, Giles A.; Martel, Sarah R.; Wisedale, Richard; Charmant, Jonathan P. H.; Hales, Neil J.; Fishwick, Colin W. G.; Gallagher, Timothy","The azomethine ylide strategy for β-lactam synthesis. An evaluation of alternative pathways for azomethine ylide generation","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1281","","10.1039/b010050l","","","0.71073","MoKα","","0.0828","0.0429","","0.1008","0.0862","","","","0.965","1.053","1.053","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216909","9.4566","0.0003","10.7149","0.0004","13.2326","0.0004","89.975","0.002","79.123","0.002","65.1932","0.0012","1190.56","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 N6 O2 S -","- C23 H32 N6 O2 S -","- C46 H64 N12 O4 S2 -","2","1","","Kyne, Graham M.; Light, Mark E.; Hursthouse, Mike B.; Mendoza, Javier de; Kilburn, Jeremy D.","Enantioselective amino acid recognition using acyclic thiourea receptors","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1258","","10.1039/b102298a","","","0.71073","MoKα","","0.0529","0.0429","","","0.0976","0.1023","","","","","","1.081","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216910","11.7867","0.0003","15.9615","0.0004","33.1308","0.0009","90","","90","","90","","6233","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 N8 O6 Si4 -","- C54 H84 N8 O6 Si4 -","- C216 H336 N32 O24 Si16 -","4","1","","Andresen, Geir; Eriksen, Aud Berglen; Dalhus, Bjørn; Gundersen, Lise-Lotte; Rise, Frode","Synthesis of 6-substituted purin-2-ones with potential cytokinin activity","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1662","","10.1039/b101327k","","","0.71073","MoKα","","0.0764","0.0581","","","0.1477","0.1619","","","","","","1.038","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216911","9.599","0.012","6.542","0.008","12.017","0.014","90","","99.615","0.01","90","","744","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Harwood, Laurence M.; Drew, Michael G. B.; Hughes, David J.; Vickers, Richard J.","Diastereocontrolled Strecker reaction using (S)-5-phenylmorpholin-2-one","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1581","","10.1039/b104052a","","","0.71073","MoKα","","0.1018","0.0686","","","0.1937","0.2227","","","","","","0.717","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216912","9.685","0.004","21.585","0.005","7.745","0.004","90","","90","","90","","1619.1","1.1","296.2","","296.2","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","Methyl (2E,4S,5S)-4-chloro-5-(4-methylphenylsulfonylamino)hex-2-enoate","","","- C14 H18 Cl N O4 S -","- C14 H18 Cl N O4 S -","- C56 H72 Cl4 N4 O16 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0519","","","0.0656","","","","","5.24","5.24","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216913","11.78","0.008","35.92","0.01","6.24","0.01","90","","90","","90","","2640","5","296.2","","296.2","","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Mts-L-Phe-Y[(E)-CH=CH]-D-Glu(OMe)-OMe","","","- C26 H33 N O6 S -","- C26 H33 N O6 S -","- C104 H132 N4 O24 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0957","","","0.1005","","","","","3.506","3.506","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216914","22.773","0.009","6.899","0.004","13.08","0.002","90","","103.47","0.02","90","","1998.5","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 O4 -","- C21.978 H36.2 O4 -","- C87.912 H144.8 O16 -","4","0.5","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.1564","0.0741","","","0.1915","0.2321","","","","","","1.054","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216915","6.077","0.001","83.01","0.02","6.219","0.001","90","","117.14","0.01","90","","2791.8","1","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C34 H44 O4 -","- C34 H44 O4 -","- C136 H176 O16 -","4","1","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.0781","0.0382","","","0.0875","0.0996","","","","","","1.015","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7216916","7.1914","0.0002","7.6935","0.0003","10.8709","0.0005","97.588","0.002","100.393","0.002","112.749","0.003","531.89","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C24 H40 O4 -","2","1","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.0498","0.0415","","","0.1074","0.1138","","","","","","1.056","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216917","13.524","0.003","22.784","0.005","14.838","0.003","90","","112.98","0.03","90","","4209.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O P Se2 -","- C23 H23 O P Se2 -","- C184 H184 O8 P8 Se16 -","8","2","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.1628","0.063","","","0.1643","0.1876","","","","","","0.968","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216918","7.655","0.002","15.047","0.003","20.023","0.004","72.73","0.03","83.49","0.03","80.64","0.03","2167.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl2 O8 P2 Pd Se2 -","- C22 Cl2 O8 P2 Pd Se2 -","- C66 Cl6 O24 P6 Pd3 Se6 -","3","1.5","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.0838","0.0607","","","0.1662","0.1774","","","","","","1.004","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216919","8.294","0.002","8.305","0.002","18.438","0.004","100.38","0.03","96.14","0.03","102.78","0.03","1204","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 O P Se2 -","- C26 H29 O P Se2 -","- C52 H58 O2 P2 Se4 -","2","1","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.1133","0.0627","","","0.1742","0.1913","","","","","","1.121","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216920","5.6023","0.0001","9.0705","0.0002","11.2383","0.0003","100.203","0.001","99.784","0.001","99.323","0.001","542.9","0.02","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","trans.7,7-Ethylenedioxybicyclo(4.4.0)decan-3-one","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell","Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1024","","10.1039/b100179p","","","0.71073","MoKα","","0.0434","0.0389","","0.1168","0.1115","","","","1.118","1.122","1.122","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216921","5.4613","0.0009","16.035","0.003","20.772","0.003","90","","90","","90","","1819","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-7,7-(ethylenedioxy)bicyclo(4.4.0)dec-3-yl p-nitrobenzoate","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell","Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1024","","10.1039/b100179p","","","0.71073","MoKα","","0.0548","0.0379","","","0.0873","0.1053","","","","","","1.033","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216922","16.4923","0.0015","13.9235","0.0011","19.913","0.005","90","","92.856","0.014","90","","4567","1.3","288","","288","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Cl K N O10 -","- C49 H42 Cl K N O10 -","- C196 H168 Cl4 K4 N4 O40 -","4","1","","Seung Kim, Jong; Shon, Ok Jae; Sim, Wonbo; Kyu Kim, Sun; Cho, Moon Hwan; Kim, Jin-Gyu; Suh, Il-Hwan; Kim, Dong Won","Picolyl-armed 1,3-alternate calix[4]areneazacrown ethers","Journal of the Chemical Society, Perkin Transactions 1","2001","","1","31","","10.1039/b006801m","","","0.71069","MoKα","","0.2128","0.0863","","","0.2096","0.273","","","","","","1.016","","","","has coordinates","194050","2020-10-21","18:00:00",""
"7238064","10.53","0.002","13.802","0.003","11.485","0.002","90","","90.86","0.03","90","","1669","0.6","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]- 2-bromo-3-fluoro-5-methoxy-6-piperidylpyridine","","- C14 H13 Br F8 N2 O -","- C14 H13 Br F8 N2 O -","- C56 H52 Br4 F32 N8 O4 -","4","1","","Richard D. Chambers; Philip R. Hoskin; Graham Sandford; Dmitrii S. Yufit; Judith A. K. Howard","Polyhalogenated heterocyclic compounds. Part 47. Syntheses of multi-substituted pyridine derivatives from pentafluoropyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","","2788","2795","10.1039/B105950P","","","0.71073","MoKα","","0.0827","0.0692","","","0.1712","0.1802","","","","","","1.118","","","","has coordinates","243815","2020-10-21","18:00:00",""
"7238065","10.446","0.002","7.122","0.001","17.251","0.004","90","","93.71","0.03","90","","1280.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,6-dibromo-3-fluoro-5-methoxy-4-(1,2,2,2-tetra- fluoro-1-trifluoromethyl-ethyl)-pyridine","","- C9 H3 Br2 F8 N O -","- C9 H3 Br2 F8 N O -","- C36 H12 Br8 F32 N4 O4 -","4","1","","Richard D. Chambers; Philip R. Hoskin; Graham Sandford; Dmitrii S. Yufit; Judith A. K. Howard","Polyhalogenated heterocyclic compounds. Part 47. Syntheses of multi-substituted pyridine derivatives from pentafluoropyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","","2788","2795","10.1039/B105950P","","","0.71073","MoKα","","0.0677","0.0528","","","0.1338","0.1435","","","","","","1.008","","","","has coordinates","243815","2020-10-21","18:00:00",""
"7238066","9.556","0.002","14.124","0.008","8.881","0.001","90.3","0.04","108","","105","","1096.4","0.7","293.1","","293.1","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C52 H50 N2 O6 -","2","1","","Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki","[2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","","3025","3028","10.1039/B105970J","","","0.7107","MoKα","","","0.08","","","","0.033","","","","","","3.378","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7238067","18.467","0.007","5.519","0.009","20.166","0.007","90","","90","","90","","2055","4","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N2 O6 -","- C52 H44 N2 O6 -","- C104 H88 N4 O12 -","2","0.5","","Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki","[2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","","3025","3028","10.1039/B105970J","","","0.7107","MoKα","","","0.139","","","","0.089","","","","","","2.565","","","","has coordinates","295880","2024-11-12","08:14:40",""
"7238072","7.884","0.0005","12.514","0.001","14.297","0.001","90","0","90","0","90","0","1410.55","0.17","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R^*^,1'S^*^)-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2,4-dimethyl- pentan-3-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kawata, Etsuya; Saito, Masaichi; Yoshioka, Michikazu","Thermal reaction of diastereomeric benzocyclobutenols. Evidence for reversible opening of 1,2-dihydrobenzocyclobutenols to hydroxy-o-xylylenes","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","1015","","10.1039/a908326j","","","0.71073","MoKa","","","0.049","","","","0.062","","","","","","1.276","","","","has coordinates","295880","2024-11-12","08:14:40",""
"7238073","11.308","0.002","9.46","0.001","13.187","0.001","90","0","96.191","0.008","90","0","1402.4","0.3","298","","","","","","","","","","","3","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","(2S^*^,1'S^*^)-2-Acetoxy-3-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-3 -methylbutane","","- C15 H20 O3 -","- C7.5 H10 O1.5 -","- C30 H40 O6 -","4","","","Kawata, Etsuya; Saito, Masaichi; Yoshioka, Michikazu","Thermal reaction of diastereomeric benzocyclobutenols. Evidence for reversible opening of 1,2-dihydrobenzocyclobutenols to hydroxy-o-xylylenes","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","1015","","10.1039/a908326j","","","0.71073","MoKa","","","0.053","","","","0.067","","","","","","1.604","","","","has coordinates","295880","2024-11-12","08:14:40",""
"7238074","10.106","0.001","25.218","0.002","12.298","0.002","90","0","90.176","0.005","90","0","3134.2","0.6","298","","","","","","","","","","","3","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","(3S^*^,1'R^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2 ,4-dimethylpentane","","- C17 H24 O3 -","- C8.5 H12 O1.5 -","- C68 H96 O12 -","8","","","Kawata, Etsuya; Saito, Masaichi; Yoshioka, Michikazu","Thermal reaction of diastereomeric benzocyclobutenols. Evidence for reversible opening of 1,2-dihydrobenzocyclobutenols to hydroxy-o-xylylenes","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","1015","","10.1039/a908326j","","","0.71073","MoKa","","","0.054","","","","0.071","","","","","","2.364","","","","has coordinates","295880","2024-11-12","08:14:40",""
"7243859","14.263","0.0005","6.745","0.0002","14.31","0.0005","90","","90","","90","","1376.68","0.08","190","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 B F4 Te -","- C13 H15 B F4 Te -","- C52 H60 B4 F16 Te4 -","4","0.5","","Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya","Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","606","612","10.1039/b111045b","","","0.7107","MoKα","","","0.0601","","","","0.1006","","","","","","1.356","","","","has coordinates","270522","2021-11-07","03:46:21",""
"7243860","13.842","0.0004","6.786","0.0001","14.296","0.0005","90","","90","","90","","1342.85","0.06","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 B F4 Se -","- C13 H15 B F4 Se -","- C52 H60 B4 F16 Se4 -","4","0.5","","Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya","Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","606","612","10.1039/b111045b","","","0.7107","MoKα","","","0.0598","","","","0.1083","","","","","","1.475","","","","has coordinates","270522","2021-11-07","03:46:42",""