# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:15:36+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the Chemical Society, Perkin Transactions 2') 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
"1100588","10.667","0.002","29.67","0.004","15.9184","0.0019","90","","90.768","0.011","90","","5037.56","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 S Sn -","- C26 H38 S Sn -","- C208 H304 S8 Sn8 -","8","2","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100589","39.963","0.004","6.056","0.001","18.185","0.002","90","","112.21","0.01","90","","4074.52","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 S -","- C24 H32 S -","- C192 H256 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100590","10.621","0.001","10.918","0.001","11.842","0.001","77.56","0.01","67.2","0.01","81.25","0.01","1232.58","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 O S -","- C30 H36 O S -","- C60 H72 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100591","13.613","0.001","16.073","0.001","22.718","0.001","90","","90","","90","","4970.74","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 O S -","- C30 H36 O S -","- C240 H288 O8 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"5000061","17.27","0.01","12.565","0.001","14.353","0.001","90","","109.49","0.01","90","","2936.1","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 O8 -","- C84 H60 O8 -","- C168 H120 O16 -","2","0.5","","Toda, Fumio; Tanaka, Koichi; Stein, Zafra; Goldberg, Israel","Structure and inclusion characteristics of (R,R)-(‒)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","Journal of the Chemical Society, Perkin Transactions 2","1993","","12","2359","2361","10.1039/P29930002359","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000137","12.64","0.01","29.11","0.02","8.847","0.006","90","","107.37","0.02","90","","3106.81","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N2 O5 P -","- C13 H21 N2 O5 P -","- C104 H168 N16 O40 P8 -","8","2","","Weber, Hans Peter; Petcher, Trevor J.","Crystal structures of the Teonanácatl hallucinogens. Part I. Psilocybin C~12~H~17~N~2~O~4~P","Journal of the Chemical Society, Perkin Transactions 2","1974","","8","942","946","10.1039/P29740000942","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000141","8.126","0.002","15.217","0.004","12.998","0.002","90","","94.77","0.02","90","","1601.68","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C56 H48 N16 O32 -","8","2","","Sarma, Jagarlapudi A. R. P.; Nagaraju, Akula","Solid state nuclear bromination with N-bromosuccinimide. Part 1. Experimental and theoretical studies on some substituted aniline, phenol and nitro aromatic compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1113","1118","10.1039/a905466i","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000189","9.226","0.001","11.104","0.001","14.622","0.002","90","","107.79","0.01","90","","1426.33","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Padmanabhan, Kaillathe; Döpp, Dietrich; Venkatesan, Kailasam; Ramamurthy, Vaidyanathan","Solid-state photochemistry of nitro compounds: structure-reactivity correlations","Journal of the Chemical Society, Perkin Transactions 2","1986","","6","897","906","10.1039/P29860000897","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7203850","14.4667","0.0004","8.2687","0.0003","12.4192","0.0005","90","","91.225","0.002","90","","1485.26","0.09","293","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 N O4 P -","- C11 H22 N O4 P -","- C44 H88 N4 O16 P4 -","4","1","","Chalier, Florence; Tordo, Paul","5-Diisopropoxyphosphoryl-5-methyl-1-pyrroline N-oxide, DIPPMPO, a crystalline analog of the nitrone DEPMPO: synthesis and spin trapping propertiesElectronic supplementary information (ESI) available: Tables of crystallographic data. See http://www.rsc.org/suppdata/p2/b2/b206909c/","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2110","","10.1039/b206909c","","","0.7107","MoKα","","0.0557","0.0469","","","0.1215","0.1285","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7203852","18.275","0.002","18.275","0.002","7.383","0.001","90","","90","","120","","2135.4","0.4","293","","293","","","","","","","","","4","P 31","P 31","144","","","","- C29 H49 N O6 -","- C29 H46 N O6 -","- C87 H138 N3 O18 -","3","1","","Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio","On the role of hydronium ions in the protonated micellar aggregates of bile salts","J. Chem. Soc., Perkin Trans. 2","2000","","2","403","407","10.1039/a902558h","","","1.54178","CuKα","","","0.044","","","0.056","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203853","9.965","0.001","8.132","0.001","17.301","0.002","90","","90.9","0.01","90","","1401.8","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H49 N O8 S -","- C26 H42 N O8 S -","- C52 H84 N2 O16 S2 -","2","1","","Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio","On the role of hydronium ions in the protonated micellar aggregates of bile salts","J. Chem. Soc., Perkin Trans. 2","2000","","2","403","407","10.1039/a902558h","","","1.54178","CuKα","","","0.066","","","0.083","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203854","9.659","0.003","8.334","0.002","17.308","0.005","90","","91.18","0.02","90","","1393","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H49 N O8 S -","- C26 H49 N O8 S -","- C52 H98 N2 O16 S2 -","2","1","","Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio","On the role of hydronium ions in the protonated micellar aggregates of bile salts","J. Chem. Soc., Perkin Trans. 2","2000","","2","403","407","10.1039/a902558h","","","0.71069","MoKα","","","0.036","","","0.046","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203855","4.7487","0.0007","5.9711","0.0009","17.017","0.003","90","","90","","90","","482.52","0.13","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N-Dimethylthioformamide","","","- C3 H7 N S -","- C3 H7 N S -","- C12 H28 N4 S4 -","4","1","","Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V.","The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C‒H · · · S than for C‒H · · · O †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","393","","10.1039/a904531g","","","0.56086","AgKα","","0.0223","0.0195","","","0.0463","0.0468","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203856","5.9455","0.0009","7.0042","0.001","10.4041","0.0019","77.238","0.013","88.132","0.014","75.28","0.012","408.56","0.12","90","2","90","2","","","","","","","","4","P -1","-P 1","2","N,N-Dimethylformamide","","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","2","","Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V.","The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C‒H · · · S than for C‒H · · · O †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","393","","10.1039/a904531g","","","0.56086","AgKα","","0.0515","0.0331","","","0.0868","0.0913","","","","","","0.906","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203857","13.288","0.004","27.298","0.005","6.235","0.006","90","","90","","90","","2262","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C84 H128 N8 O24 -","4","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","1.54178","CuKα","","0.1175","0.0562","","0.1918","0.1502","","","","1.064","1.173","1.173","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203858","13.209","0.018","26.587","0.021","7.218","0.021","90","","90","","90","","2535","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O7 -","- C22 H36 N2 O7 -","- C88 H144 N8 O28 -","4","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","1.54178","CuKα","","0.3433","0.0628","","0.2161","0.1021","","","","1.094","1.416","1.416","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203859","9.923","0.01","7.658","0.01","15.573","0.01","90","","107.02","0.1","90","","1132","2","293","2","293","2","","","","","","","preparation","4","P 1 21 1","P 2yb","4","d-trans chrysanthemic acid DMAD salt","(1R,3R)-2,2-dimethyl-3-(methylpropenyl)-cyclopropanecarboxylic acid (1R,2R)-1-(4-nitrophenyl)- -2-dimethylamino-1,3-propanediol salt","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","0.71069","MoKα","","0.1323","0.0989","","0.3124","0.2649","","","","1.017","1.105","1.105","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203862","18.062","0.004","19.795","0.009","9.931","0.002","90","","90","","90","","3550.7","1.9","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-bromo-3-diphenylmethylene-2,3-dihydro-1,4-naphthoquinone","","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C184 H120 Br8 O16 -","8","1","","Oshima, Takumi; Tamada, Kazushi; Tamura, Hatsue; Nagai, Toshikazu","Kinetic study of thermolysis of diarylhomonaphthoquinones. Endo/exo substituent and solvent effects","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","135","","10.1039/a905223b","","","0.7107","MoKα","","0.26","0.063","","","0.11","0.17","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203863","12.121","0.004","6.319","0.002","10.882","0.004","90","0","102.69","0.03","90","0","813.1","0.5","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.061","","","0.075","","","","","1.16","1.16","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203864","12.294","0.005","6.388","0.004","11.134","0.005","90","0","103.71","0.03","90","0","849.5","0.7","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.086","","","0.086","","","","","1.051","1.051","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203865","14.584","0.004","6.175","0.003","10.852","0.003","90","0","107.8","0.02","90","0","930.5","0.6","293","","","","","","","","","","Saigol laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H25 N O5 -","- C38 H50 N2 O10 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.045","","","0.057","","","","","1.146","1.146","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203866","12.351","0.003","6.17","0.002","11.431","0.002","90","0","99.1","0.02","90","0","860.1","0.4","293","","","","","","","","","","Saigo laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.043","","","0.047","","","","","1.05","1.05","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203867","16.848","0.004","5.947","0.002","8.58","0.002","90","0","101.75","0.02","90","0","841.7","0.4","293","","","","","","","","","","Saigol laboratory","4","P 1 21 1","P 2yb","4","","","","?","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.101","","","0.132","","","","","1.767","1.767","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203868","17.045","0.004","6.148","0.002","17.931","0.004","90","0","101.22","0.02","90","0","1843.1","0.9","293","","","","","","","","","","Saigo laboratory","4","A 1 2 1","A 2y","5","","","","?","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.049","","","0.052","","","","","1.252","1.252","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203869","19.831","0.002","5.786","0.001","16.453","0.002","90","0","110.57","0.01","90","0","1767.5","0.4","293","","","","","","","","","","Saigo laboratory","4","C 1 2 1","C 2y","5","","","","?","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.061","","","0.074","","","","","1.75","1.75","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203870","15.787","0.002","6.3359","0.0008","9.353","0.001","90","0","99.428","0.008","90","0","922.9","0.19","293","","","","","","","","","","Saigo laboratory","5","P 1 21 1","P 2yb","4","","","","?","- C19 H20 F3 N O4 -","- C38 H40 F6 N2 O8 -","2","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.047","","","0.056","","","","","1.017","1.017","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203871","8.4201","0.0017","16.681","0.003","21.656","0.004","90","","90","","90","","3041.7","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","","Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald","Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","353","","10.1039/a905603c","","","0.71073","MoKα","","0.0645","0.0366","","","0.093","0.1043","","","","","","1.281","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203872","8.376","0.003","11.618","0.005","12.271","0.004","86.16","0.03","84.31","0.03","72.48","0.03","1132.2","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 I4 N2 -","- C16 H25 I4 N2 -","- C32 H50 I8 N4 -","2","1","","Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald","Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","353","","10.1039/a905603c","","","0.71073","MoKα","","","0.031","","","0.0382","","","","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203873","12.915","0.003","10.298","0.003","17.648","0.003","90","","101.08","0.02","90","","2303.4","1","473.2","","473.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O3 P -","- C29 H23 O3 P -","- C116 H92 O12 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip","The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","333","","10.1039/a905747a","","","0.7107","MoKalpha","","","0.0399","","","0.0402","","","","","2.96","2.96","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203874","11.681","0.002","14.54","0.002","10.415","0.002","101.15","0.01","115.38","0.01","91.95","0.01","1554.3","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H26 Cl O4 P -","- C36 H27 Cl2 O4 P -","- C72 H54 Cl4 O8 P2 -","2","1","","Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip","The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","333","","10.1039/a905747a","","","0.7107","MoKalpha","","","0.1156","","","0.1556","","","","","7.958","7.958","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203875","10.08","0.01","14.23","0.02","17.18","0.01","85.5","0.1","81.4","0.1","76.2","0.07","2364","4","200","","473.2","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cl6 O8 P2 -","- C48 H38 Cl6 O8 P2 -","- C96 H76 Cl12 O16 P4 -","2","1","","Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip","The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","333","","10.1039/a905747a","","","0.7107","MoKalpha","","","0.0617","","","0.0644","","","","","1.742","1.742","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203876","32.65","0.01","15.601","0.005","19.141","0.008","90","","102.95","0.03","90","","9502","6","493.2","","493.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C55.75 H44 O4 P2 -","- C57.5 H44 O4 P2 -","- C460 H352 O32 P16 -","8","2","","Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip","The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","333","","10.1039/a905747a","","","0.7107","MoKalpha","","","0.1068","","","0.1419","","","","","5.174","5.174","","","","","has coordinates","208379","2020-10-21","18:00:00",""
"7203877","5.3472","0.0003","7.3229","0.0006","12.1705","0.0007","90","","102.379","0.005","90","","465.48","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","L-p-boronophenylalanine","","- C9 H12 B N O4 -","- C9 H12 B N O4 -","- C18 H24 B2 N2 O8 -","2","1","","Shull, Brian K.; Spielvogel, David E.; Gopalaswamy, Ramesh; Sankar, Sabapathy; Boyle, Paul D.; Head, Gerald; Devito, Kevin","Evidence for spontaneous, reversible paracyclophane formation. Aprotic solution structure of the boron neutron capture therapy drug, L-p-boronophenylalanine","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","557","","10.1039/a906038c","","","0.71073","MolybdenumKα","","0.031","0.031","","0.043","0.043","","","","","1.6","1.6","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203878","17.646","0.002","23.396","0.003","11.5285","0.0009","90","","90","","90","","4759.5","0.9","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H70 N8 O12 -","- C38 H66 N8 O12 -","- C152 H264 N32 O48 -","4","1","","Cusack, Rodney M.; Grøndahl, Lisbeth; Abbenante, Giovanni; Fairlie, David P.; Gahan, Lawrence R.; Hanson, Graeme R.; Hambley, Trevor W.","Conformations of cyclic octapeptides and the influence of heterocyclic ring constraints upon calcium binding †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","323","","10.1039/a906090a","","","1.5418","CuKα","","0.0467","0.0467","","0.0441","0.0441","","","","1.901","1.901","1.901","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7203881","9.658","","15.375","","9.975","","90","","103","","90","","1443.24","","293.2","","293.2","","","","","","","","Rachel Suissa","2","P 1 21/c 1","-P 2ybc","14","","","","?","- C19 H17 -","- C76 H68 -","4","1","","Tapuhi, Yitzhak; Rachel Suissa, Michal; Cohen, Shmuel; Biedermann, P. Ulrich; Levy, Amalia; Agranat, Israel","The stereochemistry of overcrowded homomerous bistricyclic aromatic enes with alkylidene bridges","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","93","","10.1039/a906696i","","","0.7107","MoKalpha","","","0.034","","","0.036","","","","","3.41","3.41","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203882","12.139","","8.26","","11.816","","90","","90","","90","","1184.77","","293.2","","293.2","","","","","","","","Rachel Suissa","2","P 1 21/n 1","-P 2yn","14","","","","?","- C16 H15 -","- C64 H60 -","4","1","","Tapuhi, Yitzhak; Rachel Suissa, Michal; Cohen, Shmuel; Biedermann, P. Ulrich; Levy, Amalia; Agranat, Israel","The stereochemistry of overcrowded homomerous bistricyclic aromatic enes with alkylidene bridges","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","93","","10.1039/a906696i","","","0.7107","MoKalpha","","","0.054","","","0.065","","","","","1.75","1.75","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203883","8.7123","0.0012","9.3","0.0013","13.4414","0.0019","88.445","0.004","75.459","0.003","64.682","0.003","948.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl N O -","- C22 H24 Cl N O -","- C44 H48 Cl2 N2 O2 -","2","1","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill","Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines","J. Chem. Soc., Perkin Trans. 2","2000","","1","85","92","10.1039/a906755h","","","0.71073","MoKα","","0.0725","0.0466","","","0.1025","0.1139","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203884","16.574","0.002","12.5221","0.0018","17.769","0.003","90","","105.757","0.003","90","","3549.2","0.9","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill","Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines","J. Chem. Soc., Perkin Trans. 2","2000","","1","85","92","10.1039/a906755h","","","0.71073","MoKα","","0.085","0.0511","","","0.1354","0.1579","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203885","9.229","0.0018","9.6725","0.0018","18.7","0.003","90","","90","","90","","1669.3","0.5","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill","Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines","J. Chem. Soc., Perkin Trans. 2","2000","","1","85","92","10.1039/a906755h","","","0.71073","MoKα","","0.0976","0.0598","","","0.1385","0.1575","","","","","","1.035","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203886","10.497","0.002","18.498","0.002","19.597","0.002","90","","102.78","0.017","90","","3711","0.9","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","2","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill","Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines","J. Chem. Soc., Perkin Trans. 2","2000","","1","85","92","10.1039/a906755h","","","1.54184","CuKα","","0.0634","0.0435","","","0.0969","0.1105","","","","","","1.061","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203890","10.251","0.001","9.291","0.001","14.606","0.001","90","","104.329","0.008","90","","1347.8","0.2","294.2","","294.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc","Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","287","","10.1039/a907236e","","","0.7107","MoKα","","0.0364","0.036","","0.0392","","0.039","","","1.937","","","1.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203891","9.239","0.0007","10.0433","0.0008","8.7398","0.0006","96.68","0.007","112.885","0.005","81.562","0.007","737.48","0.1","294.2","","294.2","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C28 H38 N2 O8 S2 -","2","1","","Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc","Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","287","","10.1039/a907236e","","","0.7107","MoKα","","0.035","0.035","","0.0439","","0.044","","","1.686","","","1.69","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203892","8.3082","0.0007","12.308","0.001","7.5713","0.0005","105.084","0.006","92.26","0.007","104.576","0.007","718.91","0.1","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C28 H38 N2 O8 S2 -","2","1","","Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc","Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","287","","10.1039/a907236e","","","0.7107","MoKα","","0.0327","0.033","","0.0435","","0.043","","","1.809","","","1.81","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203894","12.437","0.003","9.569","0.002","19.543","0.004","90","0","106.9","0.1","90","0","2225.4","1.5","295","","295","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","1-Diethylphosphnyl-2-Phenyl-3-Phenylamino Indole","","- C24 H25 N2 O3 P -","- C24 H25 N2 O3 P -","- C96 H100 N8 O12 P4 -","4","1","","Stefania Canestrari; Alexander Mar'in; Paolo Sgarabotto; Lara Righi; Lucedio Greci","New insights on the reaction of trialkyl phosphites with 2-phenyl-3-phenylimino-3H-indole N-oxide: an indolic nitrone. Crystal structures of 1-diethylphosphoryl-2-phenyl-3-phenylamino-1H-indole and 2-phenyl-4-phenylimino-4H-3,1-benzoxazine","J. Chem. Soc., Perkin Trans. 2","2000","","4","833","838","10.1039/a907601h","","","1.54178","X","","","0.044","","","","0.049","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203895","10.627","0.002","4.667","0.002","30.968","0.003","90","0","93","0.1","90","0","1533.8","0.7","295","","295","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","N-2-Phenyl-3,1-Benzoxazine-4-Phenylimino","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Stefania Canestrari; Alexander Mar'in; Paolo Sgarabotto; Lara Righi; Lucedio Greci","New insights on the reaction of trialkyl phosphites with 2-phenyl-3-phenylimino-3H-indole N-oxide: an indolic nitrone. Crystal structures of 1-diethylphosphoryl-2-phenyl-3-phenylamino-1H-indole and 2-phenyl-4-phenylimino-4H-3,1-benzoxazine","J. Chem. Soc., Perkin Trans. 2","2000","","4","833","838","10.1039/a907601h","","","1.54178","X","","","0.045","","","","0.047","","","","","","1.415","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203896","10.7545","0.0002","11.0123","0.0002","6.8433","0.0001","90","","90","","90","","810.46","0.02","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(34)","","- C18 H28 N2 -","- C18 H28 N2 -","- C36 H56 N4 -","2","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0394","0.0305","","","0.0711","0.0747","","","","","","1.042","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203897","11.1299","0.0009","12.4995","0.001","15.52","0.0013","101.348","0.001","93.019","0.002","102.137","0.001","2059.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(35)","","- C19 H35.5 N2 O4.06 -","- C19 H35.5 N2 O4.052 -","- C76 H142 N8 O16.208 -","4","2","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.1538","0.0613","","","0.1279","0.1659","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203898","30.666","0.014","12.356","0.002","15.188","0.007","90","","91.13","0.03","90","","5754","4","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,10-Diazabicyclo[8.8.5]tricosa-5,14-diyne (37)","","- C21 H34 N2 -","- C21 H34 N2 -","- C252 H408 N24 -","12","1.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.091","0.0499","","","0.1331","0.1515","","","","","","1.029","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203899","16.5939","0.0008","28.3186","0.0013","8.6029","0.0004","90","","90","","90","","4042.6","0.3","200","2","200","2","","","","","","","","3","F d d 2","F 2 -2d","43","","(38)","","- C22 H36 N2 -","- C22 H36 N2 -","- C176 H288 N16 -","8","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0505","0.0406","","","0.1074","0.1144","","","","","","1.056","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203900","16.0954","0.0004","33.2375","0.0009","7.8746","0.0002","90","","90","","90","","4212.68","0.19","200","2","200","2","","","","","","","","3","F d d 2","F 2 -2d","43","","(39)","","- C23 H38 N2 -","- C23 H38 N2 -","- C184 H304 N16 -","8","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0269","0.0245","","","0.0609","0.0624","","","","","","1.07","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203901","9.8034","0.0001","11.9812","0.0002","20.9007","0.0003","90","","91.531","0.001","90","","2454.05","0.06","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(42)","","- C26 H44 N2 -","- C26 H44 N2 -","- C104 H176 N8 -","4","1","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0544","0.0403","","","0.1002","0.1104","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203902","8.899","0.003","12.364","0.004","20.155","0.006","104.35","0.03","94.56","0.03","99.02","0.03","2105.5","1.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1,10-Diaza-21-oxabicyclo[8.8.5]tricosa-5,14-diyne (43)","","- C20 H40 N2 O5 -","- C20 H36 N2 O3.625 -","- C80 H144 N8 O14.5 -","4","2","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.119","0.0553","","","0.159","0.1878","","","","","","1.026","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203903","8.9706","0.0001","20.6147","0.0003","11.4614","0.0001","90","","94.86","","90","","2111.89","0.04","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(44)","","- C22 H36 N2 O2 -","- C22 H36 N2 O2 -","- C88 H144 N8 O8 -","4","1","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0455","0.0352","","","0.0842","0.0904","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203904","9.569","0.001","12.697","0.002","16.052","0.005","90","","98.82","0.02","90","","1927.2","0.7","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,10-Diazabicyclo[8.8.6]tetracosa-5,14,21-triyne (46)","","- C22 H32 N2 -","- C22 H32 N2 -","- C88 H128 N8 -","4","1","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.092","0.039","","","0.093","0.109","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203905","12.177","0.002","9.875","0.002","8.532","0.001","90","","90","","90","","1026","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,10-Diazabicyclo[8.8.8]hexacosa-5,14,22-triyne (47)","","- C24 H36 N2 -","- C24 H36 N2 -","- C48 H72 N4 -","2","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0498","0.0348","","","0.0925","0.0993","","","","","","1.025","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203906","25.4676","0.0003","10.5968","0.0002","14.8576","0.0002","90","","93.62","0.001","90","","4001.7","0.1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(48)","","- C42 H68 N4 -","- C42 H68 N4 -","- C168 H272 N16 -","4","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.058","0.0378","","","0.0891","0.0992","","","","","","1.023","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203918","9.397","0.001","10.968","0.001","18.397","0.001","90","","91.52","0.01","90","","1895.4","0.3","100","0.1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","triphenylphosphonium benzylide","","- C25 H21 P -","- C25 H21 P -","- C100 H84 P4 -","4","1","","Yufit, Dmitrii S.; Howard, Judith A. K.; Davidson, Matthew G.","Bonding in phosphorus ylides: topological analysis of experimental charge density distribution in triphenylphosphonium benzylide †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","249","","10.1039/a908099f","","","0.71073","MoKα","","","0.022","","","","0.017","","","","","","0.72","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203919","10.067","0.002","10.796","0.002","13.606","0.003","97.28","0.03","96.24","0.03","97.08","0.03","1444","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-ethylenebis(1,5-diphenyl-2,4-pentanedione)","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C72 H72 N4 O4 -","2","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.2157","0.074","","","0.105","0.1256","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203920","10.035","0.003","12.473","0.003","12.724","0.004","69.94","0.03","81.79","0.03","83.42","0.03","1477","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)nickel(II)","","- C36 H34 N2 Ni O2 -","- C36 H34 N2 Ni O2 -","- C72 H68 N4 Ni2 O4 -","2","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.1056","0.0773","","","0.0872","0.0908","","","","","","1.683","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203921","9.811","0.001","11.872","0.004","12.858","0.002","86.73","0.02","81.97","0.01","83.69","0.02","1472.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)cobalt(II)","","- C36 H34 Co N2 O2 -","- C36 H34 Co N2 O2 -","- C72 H68 Co2 N4 O4 -","2","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.0543","0.0354","","","0.0847","0.0892","","","","","","1.036","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203922","25.85","0.005","13.195","0.003","8.711","0.002","90","","93.26","0.03","90","","2966.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)copper(II)","","- C36 H34 Cu N2 O2 -","- C36 H34 Cu N2 O2 -","- C144 H136 Cu4 N8 O8 -","4","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.156","0.0509","","","0.073","0.0851","","","","","","0.727","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203923","10.165","0.001","11.118","0.002","15.414","0.002","75.32","0.02","88.28","0.02","88.59","0.02","1684.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)nickel(II) pyridine solvate","","- C41 H39 N3 Ni O2 -","- C41 H39 N3 Ni O2 -","- C82 H78 N6 Ni2 O4 -","2","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.079","0.0298","","","0.0592","0.063","","","","","","0.505","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203924","40.3445","0.0008","40.3445","0.0008","13.9251","0.0008","90","","90","","120","","19629","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","N,N'-Ethylenebis[1,5-di-(1-naphthyl)-2,5-pentanedioneiminato]-nickel(II)","","- C52 H42 N2 Ni O2 -","- C52 H42 N2 Ni O2 -","- C936 H756 N36 Ni18 O36 -","18","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.156","0.0617","","","0.1119","0.1293","","","","","","1.096","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203927","8.924","0.001","9.155","0.001","11.963","0.002","90.53","0.02","92.119","0.015","96.561","0.015","970.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H23 O2 -","- C26 H23 O2 -","- C52 H46 O4 -","2","1","","Edwin Weber; Thomas Hens; Thomas Brehmer; Ingeborg Csöregh","Crystalline inclusion compounds of hosts composed of anthracene, ethylene and crowded alcoholic building blocks","J. Chem. Soc., Perkin Trans. 2","2000","","2","235","241","10.1039/a908151h","","","0.71073","MoKa","","0.0583","0.0358","","0.0915","0.0823","","","","0.901","0.996","0.996","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203928","11.5927","0.0003","12.8758","0.0005","14.0251","0.0004","90","","105.162","0.002","90","","2020.59","0.11","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 O4 -","- C50 H42 O4 -","- C100 H84 O8 -","2","0.5","","Edwin Weber; Thomas Hens; Thomas Brehmer; Ingeborg Csöregh","Crystalline inclusion compounds of hosts composed of anthracene, ethylene and crowded alcoholic building blocks","J. Chem. Soc., Perkin Trans. 2","2000","","2","235","241","10.1039/a908151h","","","1.5418","CuKa","","0.0784","0.0583","","0.1919","0.159","","","","1.059","1.156","1.156","","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7203929","8.4","0.001","8.88","0.001","13.45","0.002","82.33","0.02","71.63","0.02","76.64","0.02","924.4","0.2","102","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H19 O2 -","- C25 H19 O2 -","- C50 H38 O4 -","2","1","","Edwin Weber; Thomas Hens; Thomas Brehmer; Ingeborg Csöregh","Crystalline inclusion compounds of hosts composed of anthracene, ethylene and crowded alcoholic building blocks","J. Chem. Soc., Perkin Trans. 2","2000","","2","235","241","10.1039/a908151h","","","0.71073","MoKa","","0.0462","0.0348","","0.1002","0.0923","","","","1.052","1.097","1.097","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203934","38.065","0.002","15.1021","0.0004","26.5383","0.0012","90","","100.147","0.001","90","","15017.2","1.1","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C90 H90 O15 -","- C90 H83 O15 -","- C720 H664 O120 -","8","1","","Arnaud-Neu, Françoise; Asfari, Zouhair; Souley, Bahari; Vicens, Jacques; Thuéry, Pierre; Nierlich, Martine","Pentaalkyl ester derivatives of p-benzylcalix[5]arene and p-tert-octylcalix[5]arene: synthesis, crystal structure and metal ion complexation","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","495","","10.1039/a908336g","","","0.71073","MoKα","","0.1485","0.0876","","0.2369","0.1751","","","","1.153","1.166","1.166","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203942","11.198","0.004","9.393","0.002","15.277","0.004","90","","90","","90","","1606.9","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 N6 O3 -","- C6 N6 O3 -","- C48 N48 O24 -","8","1","","Barbieux-Flammang, Monique; Vandevoorde, Séverine; Flammang, Robert; Wong, Ming Wah; Bibas, Hervé; Kennard, Colin H. L.; Wentrup, Curt","Monomer, dimers and trimers of cyanogen N-oxide, NC‒CN→O. An X-ray, FVT-MS/IR and theoretical investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","473","","10.1039/a908653f","","","0.71073","MoKα","","0.2762","0.0928","","","0.2057","0.3034","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203943","6.093","0.003","7.5041","0.0008","9.297","0.004","90","","108.35","0.02","90","","403.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 N6 O3 -","- C6 N6 O3 -","- C12 N12 O6 -","2","1","","Barbieux-Flammang, Monique; Vandevoorde, Séverine; Flammang, Robert; Wong, Ming Wah; Bibas, Hervé; Kennard, Colin H. L.; Wentrup, Curt","Monomer, dimers and trimers of cyanogen N-oxide, NC‒CN→O. An X-ray, FVT-MS/IR and theoretical investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","473","","10.1039/a908653f","","","0.71073","MoKα","","0.0616","0.0569","","","0.1483","0.1547","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203955","17.739","","21.05","","16.878","","108.7","","103.6","","72.7","","5631.07","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C97 H130 Cl2 O10 -","- C97 H120 Cl2 O10 -","- C194 H240 Cl4 O20 -","2","1","","Geraci, Corrada; Bottino, Alessandra; Piattelli, Mario; Gavuzzo, Enrico; Neri, Placido","Interplay between cone and partial-cone geometry in doubly-bridged calix[8]arenes investigated by X-ray and 2D NMR","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","185","","10.1039/a909410e","","","1.54178","CuKα","","0.147","0.147","","0.154","0.154","","","","1.126","1.126","1.126","","","","","has coordinates","209359","2020-10-21","18:00:00",""
"7203994","9.116","0.006","5.066","0.001","17.13","0.02","90","","93.97","0.03","90","","789.2","1.1","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.189","0.0496","","","0.1291","0.188","","","","","","0.916","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203995","6.5287","0.0001","7.3004","0.0001","12.0735","0.0001","98.26","0.001","101.086","0.001","101.871","0.001","542.483","0.013","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.0414","0.036","","","0.1035","0.1062","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203996","7.688","0.001","13.3074","0.0009","15.144","0.003","90","","93.243","0.009","90","","1546.9","0.4","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C72 H56 N8 O24 -","8","2","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.2756","0.0599","","","0.1169","0.1885","","","","","","0.929","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203997","7.318","0.002","11.984","0.001","12.378","0.003","90","","90.71","0.01","90","","1085.5","0.4","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C56 H36 N4 O12 -","4","1","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.1165","0.0377","","","0.092","0.1184","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203998","10.189","0.002","15.928","0.003","11.2","0.003","90","","94.683","0.008","90","","1811.6","0.7","296","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","2","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.2868","0.0514","","","0.1025","0.168","","","","","","0.934","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203999","10.868","0.003","8.703","0.001","11.834","0.004","90","","100.67","0.01","90","","1100","0.5","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","","Plüg, Carsten; Wallfisch, Bianca; Gade Andersen, Heidi; Bernhardt, Paul V.; Baker, Lisa-Jane; Clark, George R.; Wah Wong, Ming; Wentrup, Curt","Mesoionic pyridopyrimidinylium and pyridooxazinylium olates and non-mesoionic pyridopyrimidinones. Structures in the solid state, solution, and matrices †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2096","","10.1039/b003933k","","","0.71073","MoKα","","0.059","0.0374","","","0.0957","0.1083","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204081","16.148","0.0005","10.2577","0.0003","13.9283","0.0004","90","","92.572","0.002","90","","2304.78","0.12","173","0.2","173","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N -","- C30 H28 B N -","- C120 H112 B4 N4 -","4","0.5","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0504","0.0429","","","0.1052","0.111","","","","","","1.062","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204082","13.049","0.0005","9.9316","0.0004","19.1286","0.0006","90","","91.065","0.002","90","","2478.59","0.16","173","0.2","173","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 B N3 -","- C30 H30 B N3 -","- C120 H120 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1008","0.0872","","","0.1994","0.2064","","","","","","1.163","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204083","11.228","0.0006","16.22","0.001","16.2719","0.0007","90","","98.991","0.003","90","","2927","0.3","173","0.2","173","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 B N2 O2 -","- C35 H35 B N2 O2 -","- C140 H140 B4 N8 O8 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1344","0.0823","","","0.2035","0.2342","","","","","","1.036","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204084","27.494","0.001","9.4662","0.0006","20.009","0.001","90","","127.67","0.03","90","","4122.1","1.7","173","0.2","173","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B N2 -","- C27 H23 B N2 -","- C216 H184 B8 N16 -","8","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0957","0.0498","","","0.0956","0.1119","","","","","","1.021","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204085","7.1341","0.0009","15.305","0.002","15.559","0.002","90","","90.138","0.008","90","","1698.8","0.4","173","0.2","173","0.2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 B N2 -","- C22 H19 B N2 -","- C88 H76 B4 N8 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1049","0.0751","","","0.1622","0.1781","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204086","10.0245","0.0003","12.7797","0.0004","19.037","0.0003","90","","90","","90","","2438.83","0.11","173","0.2","173","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B N3 -","- C29 H28 B N3 -","- C116 H112 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0461","0.0423","","","0.1102","0.1127","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204087","24.3436","0.0008","11.0632","0.0004","16.4744","0.0006","90","","130.343","0.002","90","","3381.7","0.2","173","0.2","173","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 B N2 -","- C21 H19 B N2 -","- C168 H152 B8 N16 -","8","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0401","0.0363","","","0.0853","0.0877","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204100","10.442","0.004","14.706","0.006","14.775","0.006","118.136","0.006","90.39","0.007","90.057","0.006","2000.7","1.4","293","2","293","2","","","","","","","synthesized","3","P -1","-P 1","2","","racemic 2,6-di-O-benzoyl-4-O-methyl-myo-inositol-1,3,5-orthoformate","","- C22 H20 O8 -","- C22 H20 O8 -","- C88 H80 O32 -","4","2","","Praveen, Thoniyot; Das, Tanya; Sureshan, Kana M.; Shashidhar, Mysore S.; Samanta, Uttamkumar; Pal, Debnath; Chakrabarti, Pinak","Silver(i) oxide‒silver halide mediated alcoholysis of O-benzoyl-myo-inositol 1,3,5-orthoformates: intramolecular assistance by the sulfonyl group","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","358","","10.1039/b101476p","","","0.71073","MoKα","","0.0952","0.0643","","","0.1592","0.1742","","","","","","1.109","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204101","8.86","0.003","11.53","0.004","12.079","0.004","109.205","0.005","105.285","0.005","102.015","0.005","1063.5","0.6","293","2","293","2","","","","","","","synthesized","4","P -1","-P 1","2","","racemic 2,6-di-O-benzoyl-4-O-methanesulfonyl-myo-inositol-1,3,5-orthoformate","","- C22 H20 O10 S -","- C22 H20 O10 S -","- C44 H40 O20 S2 -","2","1","","Praveen, Thoniyot; Das, Tanya; Sureshan, Kana M.; Shashidhar, Mysore S.; Samanta, Uttamkumar; Pal, Debnath; Chakrabarti, Pinak","Silver(i) oxide‒silver halide mediated alcoholysis of O-benzoyl-myo-inositol 1,3,5-orthoformates: intramolecular assistance by the sulfonyl group","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","358","","10.1039/b101476p","","","0.71073","MoKα","","0.0594","0.0533","","","0.1495","0.1564","","","","","","1.064","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204149","21.812","0.001","9.8235","0.0004","19.7739","0.0008","90","","90","","90","","4237","0.3","123.2","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C208 H208 N32 -","8","2","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0512","","","","0.0623","","","","","","1.499","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204150","10.504","0.003","15.414","0.001","13.7027","0.0006","90","","102.315","0.001","90","","2167.5","0.6","123.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N4 -","- C27 H26 N4 -","- C108 H104 N16 -","4","1","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0513","","","","0.0646","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204151","9.49","0.001","23.201","0.002","10.4463","0.0003","90","","99.1048","0.0006","90","","2271.1","0.3","123.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N4 -","- C28 H28 N4 -","- C112 H112 N16 -","4","1","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0544","","","","0.0827","","","","","","2.543","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204152","11.804","0.003","9.299","0.002","15.358","0.001","90","","98.44","0.002","90","","1667.5","0.6","123.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0475","","","","0.0684","","","","","","1.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204156","8.359","0.005","13.505","0.004","9.538","0.004","90","","111.74","0.03","90","","1000.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","dineopentyl 2,3-diethylbutanedioate","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","0.5","","John R. Lindsay Smith; Eiji Nagatomi; Angela Stead; David J. Waddington","The autoxidation of aliphatic esters. Part 3. The reactions of alkoxyl and methyl radicals, from the thermolysis and photolysis of peroxides, with neopentyl esters","J. Chem. Soc., Perkin Trans. 2","2001","","9","1527","1533","10.1039/b103555j","","","0.71069","MoKα","","0.0725","0.04","","","0.1047","0.1209","","","","","","1.021","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204157","8.677","0.006","9.042","0.006","10.769","0.007","113.29","0.04","90.24","0.04","115.2","0.03","686.9","0.9","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O -","- C38 H31 N O -","- C38 H31 N O -","1","0.5","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Johanna Haider; Howard Maskill; Peter C. Miatt","N-Tritylhydroxylamines: preparations, structures, base strengths, and reactions with nitrous acid and perchloric acid","J. Chem. Soc., Perkin Trans. 2","2001","","9","1742","1747","10.1039/b103569j","","","1.54184","CuKα","","0.0444","0.037","","0.0947","0.0885","","","","1.07","1.084","1.084","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204169","16.598","0.002","11.127","0.0012","24.24","0.003","90","","90","","90","","4476.8","0.9","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21.5 H29 B2 N2 O2.5 -","- C21.5 H29 B2 N2 O2.5 -","- C172 H232 B16 N16 O20 -","8","2","","Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil","A borazaaromatic analogue of isophthalic acid","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2166","","10.1039/b104794a","","","0.71069","MoKα","","0.0601","0.0562","","0.1337","0.128","","","","1.108","1.11","1.11","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204170","10.997","0.002","7.012","0.002","14.878","0.004","90","","106.331","0.014","90","","1101","0.5","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H30 B2 N2 O2 -","- C22 H32 B2 N2 O2 -","- C44 H64 B4 N4 O4 -","2","0.25","","Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil","A borazaaromatic analogue of isophthalic acid","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2166","","10.1039/b104794a","","","0.71069","MoKα","","0.1047","0.0661","","0.2105","0.1873","","","","1.074","1.244","1.244","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204173","23.136","0.002","23.136","0.002","17.217","0.003","90","","90","","120","","7981.1","1.7","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C108 H54 O6 -","- C76 H54 O6 -","- C456 H324 O36 -","6","0.333333","","Shehadeh Mizyed; Muhammad Ashram; David O. Miller; Paris E. Georghiou","Supramolecular complexation of [60]fullerene with hexahomotrioxacalix[3]naphthalenes: a new class of naphthalene-based calixarenes","J. Chem. Soc., Perkin Trans. 2","2001","","10","1916","1919","10.1039/b105019m","","","0.71073","MoKα","","0.2501","0.154","","","0.406","0.4622","","","","","","1.471","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204190","18.856","0.001","20.962","0.001","23.912","0.001","71.093","0.004","75.343","0.004","88.723","0.004","8632.1","0.8","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H243 O31 P6 -","- C168 H243 O31 P6 -","- C336 H486 O62 P12 -","2","1","","Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan","Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1370","","10.1039/b105489a","","","0.71073","MoKα","","0.1961","0.1305","","","0.375","0.4005","","","","","","1.27","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204191","11.994","0.002","12.123","0.002","21.235","0.005","102.455","0.016","93.036","0.018","93.847","0.015","3001","1","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H86 O10 P2 -","- C58 H86 O10 P2 -","- C116 H172 O20 P4 -","2","1","","Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan","Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1370","","10.1039/b105489a","","","0.71069","MoKα","","0.1578","0.1241","","","0.3681","0.3884","","","","","","1.565","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204192","39.454","0.01","17.486","0.003","21.54","0.003","90","","123.03","0.02","90","","12459","5","180","1","180","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C436 H572 O132 P16 -","- C54.5 H71.5 O16.5 P2 -","- C436 H572 O132 P16 -","8","1","","Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan","Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1370","","10.1039/b105489a","","","0.71073","MoKα","","0.1946","0.1175","","","0.3381","0.3693","","","","","","1.07","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204194","7.1388","0.0005","7.9552","0.0005","9.4073","0.0006","90","","96.849","0.003","90","","530.43","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(N,N-Dimethylamino-phenyl-methylene)propanedinitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0334","0.0286","","","0.0696","0.0724","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204195","9.883","0.0002","14.4539","0.0004","8.9153","0.0002","90","","95.363","0.001","90","","1267.96","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(N,N-diethylamino-phenyl-methylene)propanedinitrile","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0667","0.0468","","0.1406","0.1067","","","","1.131","1.146","1.146","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204196","8.458","0.0007","14.1989","0.0012","10.5332","0.0009","90","","109.561","0.004","90","","1191.97","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(phenylpyrrolidin-1-yl-methylene)propanedinitrile","","- C14 H13 N3 -","- C14 H13 N3 -","- C56 H52 N12 -","4","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0729","0.054","","","0.147","0.166","","","","","","1.06","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204197","6.6312","0.0005","7.6519","0.0006","16.3025","0.0013","90","","90","","90","","827.21","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-dimetyl-benzamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0462","0.0399","","","0.103","0.1092","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204212","6.411","0.001","7.273","0.001","10.251","0.002","99.03","0.03","95.57","0.03","105.59","0.03","449.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C18 H20 Cl2 N2 O2 -","2","1","","Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz","Low barrier hydrogen bonds in sterically modified Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","835","","10.1039/b106145n","","","1.5418","CuKα","","0.0591","0.0456","","","0.1295","0.14","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204213","6.953","0.001","7.594","0.002","11.013","0.002","79.12","0.03","83.75","0.03","76.06","0.03","553","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C22 H28 Cl2 N2 O2 -","2","1","","Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz","Low barrier hydrogen bonds in sterically modified Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","835","","10.1039/b106145n","","","1.5418","CuKα","","0.0553","0.0498","","","0.1276","0.1328","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204214","4.867","0.001","12.082","0.002","16.367","0.003","90","","90.35","0.03","90","","962.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C40 H48 Cl4 N4 O4 -","4","1","","Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz","Low barrier hydrogen bonds in sterically modified Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","835","","10.1039/b106145n","","","1.5418","CuKα","","0.0628","0.0463","","","0.1196","0.1337","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204215","6.984","0.001","7.515","0.002","11.298","0.002","75.26","0.03","79.65","0.03","72.89","0.03","544.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C22 H28 Cl2 N2 O2 -","2","1","","Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz","Low barrier hydrogen bonds in sterically modified Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","835","","10.1039/b106145n","","","1.5418","CuKα","","0.0519","0.0456","","","0.1231","0.1292","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204216","12.4205","0.001","7.1853","0.0006","25.571","0.002","90","","91.056","0.006","90","","2281.7","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl N O -","- C12 H16 Cl N O -","- C96 H128 Cl8 N8 O8 -","8","2","","Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz","Low barrier hydrogen bonds in sterically modified Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","835","","10.1039/b106145n","","","0.71073","MoKα","","0.0761","0.0486","","","0.1143","0.1272","","","","","","1.147","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204220","7.543","0.004","25.74","0.012","14.221","0.006","90","","102.167","0.012","90","","2699","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 F6 N4 O7 P -","- C23 H31 F6 N4 O7 P -","- C92 H124 F24 N16 O28 P4 -","4","1","","Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss","Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum","J. Chem. Soc., Perkin Trans. 2","2002","","1","141","150","10.1039/b106474f","","","0.71073","MoKα","","0.1528","0.0671","","","0.1561","0.2227","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204221","7.211","0.0016","23.167","0.006","14.329","0.003","90","","97.988","0.009","90","","2370.5","1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N3 O7 -","- C24 H30 N3 O7 -","- C96 H120 N12 O28 -","4","1","","Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss","Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum","J. Chem. Soc., Perkin Trans. 2","2002","","1","141","150","10.1039/b106474f","","","0.71073","MoKα","","0.1808","0.0612","","","0.1323","0.1853","","","","","","0.897","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204222","14.161","0.005","7.521","0.003","22.967","0.009","90","","105.703","0.008","90","","2354.8","1.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O7 -","- C22.996 H30 N4 O7 -","- C91.984 H120 N16 O28 -","4","1","","Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss","Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum","J. Chem. Soc., Perkin Trans. 2","2002","","1","141","150","10.1039/b106474f","","","0.71073","MoKα","","0.1255","0.0694","","","0.1737","0.2201","","","","","","1.02","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204236","9.75","0.009","12.881","0.014","16.715","0.009","90","","95.7","0.06","90","","2089","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N3 O -","- C23 H26 Cl N3 O -","- C92 H104 Cl4 N12 O4 -","4","1","","Atkinson, Robert S.; Fawcett, John; Lochrie, Ian S. T.; Ulukanli, Sabri; Claxton, Thomas A.","Aziridination of β-substituted styrene derivatives with 3-acetoxyaminoquinazolin-4(3H)-ones: probing transition state geometry from changes in diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","819","","10.1039/b107327n","","","0.71073","MoKα","","0.0854","0.0558","","","0.1686","0.2373","","","","","","1.072","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204239","10.6303","0.0011","15.1238","0.0015","15.7","0.002","81.784","0.002","72.121","0.002","81.651","0.002","2363.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H60 B3 Fe3 N3 O3 -","- C57 H60 B3 Fe3 N3 O3 -","- C114 H120 B6 Fe6 N6 O6 -","2","1","","Jens Chr. Norrild; Inger Søtofte","Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors","J. Chem. Soc., Perkin Trans. 2","2002","","2","303","311","10.1039/b107457a","","","0.71073","MoKα","","0.0882","0.0479","","0.1116","0.0983","","","","1.021","1.11","1.11","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204240","8.9765","0.0003","14.6975","0.0004","19.6627","0.0006","90","","90","","90","","2594.14","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 B3 N3 O3 -","- C27 H36 B3 N3 O3 -","- C108 H144 B12 N12 O12 -","4","1","","Jens Chr. Norrild; Inger Søtofte","Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors","J. Chem. Soc., Perkin Trans. 2","2002","","2","303","311","10.1039/b107457a","","","0.71073","MoKα","","0.0952","0.0592","","0.126","0.1036","","","","1.193","1.153","1.153","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204241","9.0771","0.0001","12.103","0.0002","12.8969","0.0001","90","","103.667","0.001","90","","1376.74","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N O2 -","- C14 H22 B N O2 -","- C56 H88 B4 N4 O8 -","4","1","","Jens Chr. Norrild; Inger Søtofte","Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors","J. Chem. Soc., Perkin Trans. 2","2002","","2","303","311","10.1039/b107457a","","","0.71073","MoKα","","0.0769","0.0528","","0.1246","0.1067","","","","1.136","1.115","1.115","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204244","11.296","0.003","22.296","0.003","10.547","0.004","90","","90","","90","","2656.3","1.3","295.2","","295.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 S -","- C14 H17 O2 S -","- C112 H136 O16 S8 -","8","1","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.1792","0.052","","0.046","","0.038","","","1.398","","","1.84","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204245","12.719","0.006","19.14","0.01","11.106","0.007","90","","102.55","0.05","90","","2639","3","295.2","","295.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O2 S -","- C14 H17 O2 S -","- C112 H136 O16 S8 -","8","2","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.2982","0.072","","0.097","","0.073","","","1.399","","","2.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204246","12.774","0.002","9.135","0.002","11.388","0.002","90","","104.79","0.01","90","","1284.8","0.4","295.2","","295.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.0653","0.046","","0.057","","0.055","","","2.004","","","2.24","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204262","36.327","0.008","36.327","0.008","8.841","0.002","90","","90","","120","","10104","4","108","2","108","2","","","","","","","","5","R -3 :H","-R 3","148","","silicon phthalocyanine di(p-t-butylbenzoic acid)","","- C54 H42 N8 O4 Si -","- C54 H42 N8 O4 Si -","- C486 H378 N72 O36 Si9 -","9","0.5","","Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov","Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters","J. Chem. Soc., Perkin Trans. 2","2002","","1","59","66","10.1039/b108778a","","","0.71073","MoKα","","0.0976","0.0465","","","0.0964","0.1166","","","","","","1.015","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204263","10.078","0.001","22.591","0.002","8.243","0.001","90","","101.59","0.01","90","","1838.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","silicon phthalocyanine-di-thiophene acetic acid","","- C44 H26 N8 O4 S2 Si -","- C44.006 H26 N8 O4 S2.006 Si -","- C88.012 H52 N16 O8 S4.012 Si2 -","2","0.5","","Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov","Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters","J. Chem. Soc., Perkin Trans. 2","2002","","1","59","66","10.1039/b108778a","","","0.71073","MoKα","","0.05","0.0401","","","0.1026","0.1097","","","","","","1.034","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204264","9.73","0.001","10.118","0.001","13.58","0.001","69.94","0.01","88.48","0.01","61.66","0.01","1090.2","0.2","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N8 O8 Si -","- C54 H42 N8 O8 Si -","- C54 H42 N8 O8 Si -","1","0.5","","Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov","Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters","J. Chem. Soc., Perkin Trans. 2","2002","","1","59","66","10.1039/b108778a","","","0.71073","MoKα","","0.0451","0.0378","","","0.0988","0.1043","","","","","","1.031","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204274","17.5193","0.0004","13.2112","0.0008","17.8502","0.0005","90","","90","","90","","4131.4","0.3","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 O P -","- C27 H23 O P -","- C216 H184 O8 P8 -","8","1","","Naya, Shin-ichi; Nitta, Makoto","Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1017","","10.1039/b109076n","","","0.7107","MoKα","","","0.069","","","","0.141","","","","","","1.347","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204275","17.54","","17.5","","13.35","","90","","90","","90","","4097.78","","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 O P -","- C26 H21 O P -","- C208 H168 O8 P8 -","8","1","","Naya, Shin-ichi; Nitta, Makoto","Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1017","","10.1039/b109076n","","","1.54178","CuKα","","0.0639","0.0621","","","0.1751","0.1765","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204276","20.627","0.002","20.627","0.002","9.766","0.001","90","","90","","120","","3598.5","0.6","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","4-phenylimidazole","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","","Claramunt, Rosa M.; Santa María, María Dolores; Infantes, Lourdes; Cano, Félix H.; Elguero, José","The annular tautomerism of 4(5)-phenylimidazole","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","564","","10.1039/b109079h","","","1.5418","xray_synch","","0.068","0.05","","0.06","0.058","","","","0.905","0.907","0.907","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204284","21.4021","0.0018","12.7375","0.0011","21.3752","0.0018","90","","90.207","0.002","90","","5827","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H78 Cl2 O4 Se2 -","- C63 H70 Cl2 O4 Se2 -","- C252 H280 Cl8 O16 Se8 -","4","0.5","","Zeng, Xianshun; Leng, Xuebing; Chen, Langxing; Sun, Hao; Xu, Fengbo; Li, Qingshan; He, Xiwen; Zhang, Zheng-Zhi","Novel bis(phenylselenoalkoxy)calix[4]arene molecular tweezer receptors as sensors for ion-selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2002","","4","796","","10.1039/b109238c","","","0.71073","MoKα","","0.0784","0.0543","","","0.1597","0.1747","","","","","","1.05","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204285","9.5229","0.0002","17.2091","0.0003","10.3702","0.0001","90","","95.096","0.001","90","","1692.76","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 O2 -","- C20 H16 Cl2 O2 -","- C80 H64 Cl8 O8 -","4","1","","Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling","The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","545","","10.1039/b109336n","","","0.71073","MoKα","","0.0601","0.0431","","","0.1189","0.1277","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204286","9.8062","0.0007","22.3707","0.0015","8.49","0.0006","90","","115.914","0.001","90","","1675.2","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 Cl2 O2 -","- C20 H16 Cl2 O2 -","- C80 H64 Cl8 O8 -","4","1","","Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling","The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","545","","10.1039/b109336n","","","0.71073","MoKα","","0.0434","0.042","","","0.115","0.1173","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204287","12.3267","0.0003","12.841","0.0001","11.7222","0.0002","90","","111.53","","90","","1726.01","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 O2 -","- C20 H16 Cl2 O2 -","- C80 H64 Cl8 O8 -","4","1","","Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling","The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","545","","10.1039/b109336n","","","0.71073","MoKα","","0.067","0.0496","","","0.1188","0.1325","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204296","12.367","0.003","11.139","0.002","14.127","0.003","90","","112.72","0.02","90","","1795.1","0.7","295","","295","","","","","","","","Prepared by the reaction of 3,4-diethoxy-2-thienyl-lithium with di(tert-butyl) ketone'","4","P 1 21/c 1","-P 2ybc","14","","3,4-diethoxy-2-thienyldi(tert-butyl)methanol","","- C17 H30 O3 S -","- C17 H30 O3 S -","- C68 H120 O12 S4 -","4","1","","Lomas, John S.; Adenier, Alain; Gao, Kun; Maurel, François; Vaissermann, Jacqueline","Hydrogen bonding and steric effects on rotamerization in 3,4-alkylenedioxy-, 3-alkoxy- and 3,4-dialkoxy-2-thienyldi(tert-butyl)methanols: an NMR, IR and X-ray crystallographic studyElectronic supplementary information (ESI) available: NMR data; activation parameters for rotation; MMFF94 steric energies and alkoxy group geometries; thermodynamic data; quantum mechanical calculations of geometries; bond lengths, bond angles and torsion angles of 8A-Et; NMR and IR data on new compounds. See http://www.rsc.org/suppdata/p2/b1/b109612p/","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","216","","10.1039/b109612p","","","0.71069","MoKα","","","0.0547","","","0.0742","","","","","1.23","1.23","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204323","5.894","0.001","37.138","0.006","9.73","0.002","90","","91.827","0.016","90","","2128.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O4 S -","- C21 H25 N3 O4 S -","- C84 H100 N12 O16 S4 -","4","1","","Wouters, Johan; Luque, F. Javier; Barretta, Gloria Uccello; Balzano, Federica; Pignatello, Rosario; Guccione, Salvatore","Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1012","","10.1039/b110321k","","","1.54178","CuKα","","0.1144","0.049","","","0.1227","0.1508","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204324","6.261","0.0013","8.48","0.0017","16.433","0.003","86.75","0.03","82.94","0.03","81.98","0.03","856.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N3 O3 S -","- C18 H16 N3 O3 S -","- C36 H32 N6 O6 S2 -","2","1","","Wouters, Johan; Luque, F. Javier; Barretta, Gloria Uccello; Balzano, Federica; Pignatello, Rosario; Guccione, Salvatore","Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1012","","10.1039/b110321k","","","0.71073","MoKα","","0.0994","0.0838","","","0.2375","0.2587","","","","","","1.055","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204325","11.039","0.002","7.791","0.002","19.001","0.004","90","","104.31","0.03","90","","1583.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Elliott, Mark C.; Williams, Eve; Howard, Siân T.","Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton sponge","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","201","203","10.1039/b110499n","","","0.71073","MoKα","","0.1316","0.0461","","","0.0929","0.1246","","","","","","1.071","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204345","15.475","0.007","15.466","0.008","15.72","0.004","101.86","0.02","101.91","0.02","103.77","0.03","3445","3","100","2","100","2","","","","","","","","3","P 1","P 1","1","ß-Cyclodextrin/(Z)-7-Tetradecenal complex","","","- C103.6 H218.6 O92.5 -","- C103.6 H159.22 O92.033 -","- C103.6 H159.22 O92.033 -","1","1","","Yannakopoulou, Konstantina; Ripmeester, John A.; Mavridis, Irene M.","Release of the Prays oleae pheromone as a consequence of supramolecular structure: study of the ??-cyclodextrin-(Z)-tetradec-7-en-1-al complex by X-ray crystallography and NMR spectroscopy in the solid state and in solution","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1639","","10.1039/b111632k","","","0.65","","","0.0815","0.0699","","","0.1965","0.2154","","","","","","1.053","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204353","8.1751","0.0004","12.6839","0.0009","11.4135","0.0007","89","","89","","90","","1183.13","0.13","93.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H16 N4 -","- C14 H16 N4 -","- C56 H64 N16 -","4","0.5","","Satou, Teizi; Shinmyozu, Teruo","Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","393","","10.1039/b200402j","","","0.7107","MoKα","","","0.0555","","","","0.1313","","","","","","0.851","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7204354","20.487","0.001","20.6726","0.0008","6.1558","0.0003","90","","90","","90","","2607.1","0.2","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O4 S2 -","- C28 H28 N4 O4 S2 -","- C112 H112 N16 O16 S8 -","4","1","","Satou, Teizi; Shinmyozu, Teruo","Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","393","","10.1039/b200402j","","","0.7107","MoKα","","","0.0439","","","","0.1413","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204359","6.0319","0.0001","10.305","0.0004","30.361","0.0012","90","","90","","90","","1887.2","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-ethynyl-8-methoxynaphthalene","","- C13 H10 O -","- C13 H10 O -","- C104 H80 O8 -","8","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0925","0.0535","","0.1421","0.1256","","","","1.049","1.167","1.167","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204360","11.41","","13.761","","16.352","","93.97","","98.58","","106.71","","2414.43","","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-methoxy-1-triphenylsilylethenylnaphthalene","","- C31 H24 O Si -","- C31.0885 H25.1085 O1.0795 Si -","- C124.354 H100.434 O4.318 Si4 -","4","2","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71073","MoKα","","0.128","0.0567","","","0.1115","0.1302","","","","","","0.925","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204361","8.1848","0.0002","13.7072","0.0004","20.2962","0.0006","90","","90","","90","","2277.04","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(8-methoxynaphth-1-yl)but-3-yn-2-one","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0521","0.0398","","0.1146","0.1033","","","","1.07","1.104","1.104","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204362","7.5576","0.0005","7.5977","0.0003","10.969","0.0007","90","","109.847","0.003","90","","592.43","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(8-methoxynaphth-1-yl)propynoate","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0531","0.0463","","0.1271","0.1221","","","","1.155","1.186","1.186","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204363","14.061","0.009","5.001","0.009","44.011","0.009","90","","91.99","0.04","90","","3093","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(8-methoxnaphth-1-yl)N-phenyl-prop-2-ynamide","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.1067","0.0541","","0.1404","0.1144","","","","1.031","1.129","1.129","","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204364","3.9353","0.0002","11.2675","0.0009","23.736","0.002","90","","93.519","0.004","90","","1050.49","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(8-methoxynaphth-1-yl)-prop-2-ynenitrile","","- C14 H9 N O -","- C14 H9 N O -","- C56 H36 N4 O4 -","4","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.1218","0.0562","","0.1479","0.1194","","","","1.01","1.138","1.138","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204365","8.2787","0.0002","9.0356","0.0002","18.6385","0.0007","80.0224","0.001","80.9641","0.001","65.704","0.002","1245.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","8-Dimethylamino-1-(triphenylsilylethynyl)naphthalene","","- C32 H27 N Si -","- C32 H27 N Si -","- C64 H54 N2 Si2 -","2","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71073","MoKα","","0.0929","0.0624","","","0.1574","0.1704","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204366","20.51","0.11","7.34","0.03","8.17","0.04","90","","111.81","0.08","90","","1142","10","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(Bis-quinuclidine-protonated) (urea-iodide)","","- C8 H17.5 I0.5 N3 O -","- C8 H17.5 I0.5 N3 O -","- C32 H70 I2 N12 O4 -","4","1","","Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland","Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds","J. Chem. Soc., Perkin Trans. 2","2002","","11","1956","1959","10.1039/b201053b","","","0.71073","MoKα","","0.0708","0.0409","","","0.1015","0.1163","","","","","","0.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204367","19.323","0.008","7.145","0.003","8.566","0.004","90","","112.19","0.03","90","","1095.1","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(Bis-quinuclidine-protonated) (urea-bromide)","","- C8 H17.5 Br0.5 N3 O -","- C8 H17.5 Br0.5 N3 O -","- C32 H70 Br2 N12 O4 -","4","1","","Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland","Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds","J. Chem. Soc., Perkin Trans. 2","2002","","11","1956","1959","10.1039/b201053b","","","0.71073","MoKα","","0.1787","0.0607","","","0.1111","0.1489","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204368","21.383","0.003","5.411","0.002","23.737","0.002","90","","96.9","0.03","90","","2726.6","1.1","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Br2 O4 -","- C14 H10 Br2 O4 -","- C112 H80 Br16 O32 -","8","1","","Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting","The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes","J. Chem. Soc., Perkin Trans. 2","2002","","9","1510","1519","10.1039/b201235a","","x-ray","0.71073","MoKα","","0.1391","0.0738","","","0.1669","0.1945","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204369","22.097","0.002","11.505","0.002","34.188","0.002","90","","102.19","0.02","90","","8495.5","1.9","203","2","203","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C384 H432 O48 -","12","1.5","","Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting","The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes","J. Chem. Soc., Perkin Trans. 2","2002","","9","1510","1519","10.1039/b201235a","","x-ray","1.54178","CuKα","","0.1814","0.0816","","","0.2106","0.2638","","","","","","1.269","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204370","16.808","0.002","22.023","0.002","9","0.003","90","","90","","90","","3331.5","1.2","203","2","203","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C38 H48 O4 -","- C38 H48 O4 -","- C152 H192 O16 -","4","1","","Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting","The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes","J. Chem. Soc., Perkin Trans. 2","2002","","9","1510","1519","10.1039/b201235a","","x-ray","0.71073","MoKα","","0.096","0.049","","","0.085","0.1009","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204376","10.843","0.003","13.916","0.002","23.573","0.001","90","","91.144","0.01","90","","3556.2","1.1","293.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H35 N O4 -","- C47 H35 N O4 -","- C188 H140 N4 O16 -","4","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu","Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1611","1619","10.1039/b201915a","","","0.7107","MoKα","","","0.0631","","","","0.0992","","","","","","1.225","","","","has coordinates","275120","2022-05-06","16:53:13",""
"7204377","11.667","0.003","14.264","0.003","9.053","0.002","90.09","0.02","100.01","0.02","77.15","0.02","1445.4","0.6","293.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu","Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1611","1619","10.1039/b201915a","","","0.7107","MoKα","","","0.0524","","","","0.075","","","","","","1.282","","","","has coordinates","275120","2022-05-06","16:53:14",""
"7204378","11.385","0.004","16.895","0.005","10.483","0.004","101.11","0.03","114.33","0.02","95.93","0.03","1764.8","1.2","293.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H37 N O3 -","- C48 H37 N O3 -","- C96 H74 N2 O6 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu","Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1611","1619","10.1039/b201915a","","","0.7107","MoKα","","","0.0502","","","","0.0779","","","","","","0.974","","","","has coordinates","275120","2022-05-06","16:53:14",""
"7204379","14.802","0.002","14.302","0.002","16.739","0.002","90","","94.052","0.008","90","","3534.8","0.8","293.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 N O3 -","- C48 H37 N O3 -","- C192 H148 N4 O12 -","4","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu","Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1611","1619","10.1039/b201915a","","","0.7107","MoKα","","","0.0531","","","","0.0805","","","","","","1.091","","","","has coordinates","275120","2022-05-06","16:53:14",""
"7204399","11.215","0.002","15.911","0.003","11.501","0.002","90","","90","","90","","2052.3","0.6","123","2","123","2","","","","","","","chemical synthesis","6","P n m a","-P 2ac 2n","62","","Toluene/nitrozonium hexachloroantimonate molecular complex 2:1","","- C14 H16 Cl6 N O Sb -","- C14 H16 Cl6 N O Sb -","- C56 H64 Cl24 N4 O4 Sb4 -","4","0.5","","Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.","Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1468","","10.1039/b202323g","","","0.71073","MoKα","","0.1657","0.061","","0.1186","0.0828","","","","1.093","1.168","1.168","","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204400","11.666","0.002","16.482","0.003","23.254","0.004","90","","91.369","0.004","90","","4470","1.4","123","2","123","2","","","","","","","chemical synthesis","6","P 1 21/c 1","-P 2ybc","14","","o-Xylene/Nitrosonium hexachloroantimonate molecular complex 2:1","","- C16 H20 Cl6 N O Sb -","- C16 H20 Cl6 N O Sb -","- C128 H160 Cl48 N8 O8 Sb8 -","8","2","","Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.","Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1468","","10.1039/b202323g","","","0.71073","MoKα","","0.0977","0.093","","0.254","0.2419","","","","1.07","1.091","1.091","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204401","12.502","0.003","10.516","0.002","9.852","0.002","90","","109.46","0.05","90","","1221.3","0.6","123","2","123","2","","","","","","","","6","C 1 m 1","C -2y","8","","Mesitylene/nitrozonium hexachloroantimonate molecular complex 2:1","","- C18 H24 Cl6 N O Sb -","- C18 H24 Cl6 N O Sb -","- C36 H48 Cl12 N2 O2 Sb2 -","2","0.5","","Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.","Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1468","","10.1039/b202323g","","","0.71073","MoKα","","0.0402","0.031","","0.0658","0.0629","","","","0.94","0.98","0.98","","","","","has coordinates,has disorder","180375","2020-10-21","18:00:00",""
"7204421","16.012","0.001","12.401","0.001","19.494","0.001","90","","111.98","0.01","90","0.001","3589.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Cl N2 O7 -","- C37 H47 Cl N2 O7 -","- C148 H188 Cl4 N8 O28 -","4","1","","Oliva, Ana I.; Simón, Luis; Hernández, José V.; Muñiz, Francisco M.; Lithgow, Anna; Jiménez, Alicia; Morán, Joaquín R.","Enantioselective recognition of α-amino acid derivatives with a cis-tetrahydrobenzoxanthene receptorElectronic supplementary information (ESI) available: binding data. See http://www.rsc.org/suppdata/p2/b2/b203054c/","Journal of the Chemical Society, Perkin Transactions 2","2002","","6","1050","","10.1039/b203054c","","","1.5418","CuKα","","0.2239","0.1196","","0.3707","0.3122","","","","0.987","1.479","1.479","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204423","5.092","0.0002","28.9279","0.0009","5.7024","0.0002","90","","90.021","0.002","90","","839.97","0.05","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","","Kundu, Sandip Kumar; Mazumdar, Pooja Anjali; Das, Amit Kumar; Bertolasi, Valerio; Pramanik, Animesh","Parallel ??-sheet assemblage in a model dipeptide: an X-ray diffraction study","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1602","","10.1039/b203164g","","","0.71069","MoKα","","0.0376","0.0333","","","0.0872","0.0905","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204424","10.726","0.001","7.282","0.001","10.756","0.001","90","","106.29","0.01","90","","806.39","0.16","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","japoe09","","","- C22 H24 -","- C22 H24 -","- C44 H48 -","2","0.5","","Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue","Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties","J. Chem. Soc., Perkin Trans. 2","2002","","10","1760","1771","10.1039/b203167a","","","0.71073","MoKα","","0.0453","0.0363","","","0.0892","0.0942","","","","","","1.055","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204425","12.259","0.001","5.283","0.001","8.856","0.001","90","","101.07","0.01","90","","562.88","0.13","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","japoe08","trans-1-(1-Benzocyclobutenyliden)benzocyclobutene","","- C16 H12 -","- C16 H12 -","- C32 H24 -","2","0.5","","Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue","Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties","J. Chem. Soc., Perkin Trans. 2","2002","","10","1760","1771","10.1039/b203167a","","","0.71073","MoKα","","0.0541","0.0419","","","0.1114","0.1192","","","","","","1.051","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204426","26.192","0.001","9.483","0.001","6.913","0.001","90","","101.3","0.1","90","","1683.8","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","japoe10","trans-1-(6-Methoxy-1-tetralinylidene)-6-methoxytetralane","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","0.5","","Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue","Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties","J. Chem. Soc., Perkin Trans. 2","2002","","10","1760","1771","10.1039/b203167a","","","0.71073","MoKα","","0.0548","0.0417","","","0.1105","0.1193","","","","","","1.048","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204431","13.54","0.002","16.289","0.006","17.898","0.003","90","","101.35","0.01","90","","3870.3","1.7","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-nitro-3-(1',2,2',3,3',4,4',5-octamethylferrocenyl)acrylonitrile","","- C21 H26 Fe N2 O2 -","- C21 H26 Fe N2 O2 -","- C168 H208 Fe8 N16 O16 -","8","2","","Laus, Gerhard; Schottenberger, Herwig; Schuler, Norbert; Wurst, Klaus; Herber, Rolfe H.","A novel solvatochromic 2-nitroacrylonitrile derived from octamethylferrocenecarbaldehyde","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1445","","10.1039/b203395j","","","0.71073","MoKα","","0.0629","0.0406","","0.1005","0.0892","","","","1.036","1.093","1.093","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204434","15.537","0.003","16.739","0.002","10.481","0.002","90","","126.46","0.02","90","","2192.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(E)-1,2-difluoro-1,2-bis-(4-methoxy-5-trimethylsilyl-2-thienyl)ethene","","- C18 H26 F2 O2 S2 Si2 -","- C18 H26 F2 O2 S2 Si2 -","- C72 H104 F8 O8 S8 Si8 -","4","0.5","","Albertin, Luca; Bertarelli, Chiara; Gallazzi, Maria C.; Meille, Stefano V.; Capelli, Silvia C.","Synthesis and characterisation of 1,2-difluoro-1,2-bis(5-trimethylsilyl-2-thienyl)ethenes. A new family of conjugated monomers for oxidative polymerisation","Journal of the Chemical Society, Perkin Transactions 2","2002","","10","1752","","10.1039/b203589h","","","0.7","x-ray","","0.0389","0.0369","","","0.0852","0.0975","","","","","","1.136","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204440","8.907","0.002","8.956","0.003","13.887","0.002","98.682","0.017","98.451","0.013","94.255","0.019","1077.9","0.5","","","293","2","","","","","","","","4","P -1","-P 1","2","bnp.35x","2,2'-dihydroxy-1,1'-binaphthyl 3,5-xylidine clathrate","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C56 H50 N2 O4 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1246","","10.1039/b204190c","","","0.71069","MoKα","","0.074","0.0401","","","0.1096","0.1237","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204441","26.066","0.002","10.068","0.002","11.868","0.002","90","","109.11","0.05","90","","2942.9","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bnp.2(26x)","2,2'-dihydroxy-1,1'-binaphthyl bi-2,6-xylidine clathrate","","- C36 H36 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","0.5","","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1246","","10.1039/b204190c","","","0.71069","MoKα","","0.1006","0.0662","","","0.196","0.2198","","","","","","1.068","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204442","22.634","0.001","10.464","0.001","30.689","0.001","90","","90","","90","","7268.4","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bnp.3(23x)","2,2'-dihydroxy-1,1'-binaphthyl tri-2,3-xylidine clathrate","","- C44 H47 N3 O2 -","- C44 H47 N3 O2 -","- C352 H376 N24 O16 -","8","1","","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1246","","10.1039/b204190c","","","0.71069","MoKα","","0.1879","0.0926","","","0.2539","0.3103","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204443","13.178","0.006","13.178","0.006","11.091","0.005","90","","90","","120","","1668","1.3","100","2","100","2","","","","","","","","3","P 63/m","-P 6c","176","N,N-dihydrodimethylphenazine","","","- C14 H14 N2 -","- C14 H16 N2 -","- C84 H96 N12 -","6","0.5","","Holzapfel, Marco; Lambert, Christoph; Selinka, Carola; Stalke, Dietmar","Organic mixed valence compounds with N,N-dihydrodimethylphenazine redox centres","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1553","","10.1039/b204392k","","","0.71073","MoKα","","0.0402","0.0342","","","0.0939","0.0968","","","","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204446","12.462","0.006","15.613","0.007","15.042","0.007","90","","111.351","0.008","90","","2726","2","153.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Br2 O2 -","- C38 H22 Br2 O2 -","- C152 H88 Br8 O8 -","4","1","","Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi","Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1937","","10.1039/b204515j","","","0.7107","MoKα","","","0.0361","","","","0.0426","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204447","10.059","0.005","14.309","0.007","19.109","0.01","90","","97.049","0.007","90","","2730","2","153.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 O2 -","- C40 H28 O2 -","- C160 H112 O8 -","4","1","","Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi","Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1937","","10.1039/b204515j","","","0.7107","MoKα","","","0.0567","","","","0.0642","","","","","","1.41","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204448","21.614","0.002","9.8916","0.0008","9.674","0.0004","90","","113.459","0.002","90","","1897.3","0.2","123.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H40 Br2 O6 -","- C46 H40 Br2 O6 -","- C92 H80 Br4 O12 -","2","0.5","","Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi","Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1937","","10.1039/b204515j","","","0.7107","MoKα","","","0.0324","","","","0.0412","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204462","12.047","0.001","12.814","0.002","16.307","0.001","90","","105.51","0.006","90","","2425.6","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Bis(4-bromophenyl)-4,4,-diphenyl-4H-selenopyran","","- C29 H20 Br2 Se -","- C29 H20 Br2 Se -","- C116 H80 Br8 Se4 -","4","1","","Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan","Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study","J. Chem. Soc., Perkin Trans. 2","2002","","11","1909","1916","10.1039/b204976g","","","1.5418","CuKα","","","0.0943","","","","0.0698","","","","","","1.0697","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204463","18.117","0.003","7.088","0.001","34.009","0.007","90","","90","","90","","4367.2","1.3","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,4,6-tetraphenyl-4H-selenopyran","","- C29 H22 Se -","- C29 H22 Se -","- C232 H176 Se8 -","8","2","","Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan","Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study","J. Chem. Soc., Perkin Trans. 2","2002","","11","1909","1916","10.1039/b204976g","","","1.5418","CuKα","","","0.0621","","","","0.0529","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204464","10.862","0.003","14.597","0.003","27.479","0.003","90","","90.83","0.03","90","","4356.4","1.6","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","2',6'-Diphenylspiro[fluorene-9.4'-selenopyran]","","- C29 H20 Se -","- C29 H20 Se -","- C232 H160 Se8 -","8","2","","Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan","Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study","J. Chem. Soc., Perkin Trans. 2","2002","","11","1909","1916","10.1039/b204976g","","","1.5418","CuKα","","","0.0828","","","","0.079","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204469","7.171","0.013","17.69","0.03","8.092","0.014","90","","117.774","0.01","90","","908","3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire","The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy","J. Chem. Soc., Perkin Trans. 2","2002","","9","1533","1537","10.1039/b205116h","","","0.71073","MoKα","","0.1824","0.084","","","0.2252","0.2734","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204470","8.655","0.012","4.919","0.007","21.97","0.02","90","","97.86","0.01","90","","927","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire","The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy","J. Chem. Soc., Perkin Trans. 2","2002","","9","1533","1537","10.1039/b205116h","","","0.71069","MoKα","","0.0871","0.0693","","","0.2064","0.2285","","","","","","1.118","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204490","19.117","0.003","19.117","0.003","18.364","0.005","90","","90","","120","","5812","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","3-Bromo-2-(4'-fluorophenyl)quinolin-4(1H)-one","","- C15 H9 Br F N O -","- C15 H9 Br F N O -","- C270 H162 Br18 F18 N18 O18 -","18","1","","Mphahlele, Malose J.; Fernandes, Manuel A.; El-Nahas, Ahmed M.; Ottosson, Henrik; Ndlovu, Stephen M.; Sithole, Happy M.; Dladla, Bongumusa S.; De Waal, Danita","Solution phase, solid state and computational structural studies of the 2-aryl-3-bromoquinolin-4(1H)-one derivatives1","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2159","","10.1039/b206657b","","","0.71073","MoKα","","0.0624","0.0338","","","0.0793","0.0892","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204494","19.685","0.005","35.565","0.005","23.159","0.005","90","0.005","92.553","0.005","90","0.005","16197","6","293","2","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C170.25 H216.75 Cl4 F6 N17 O16 P -","- C170.25 H216.75 Cl4 F6 N17 O16 P -","- C681 H867 Cl16 F24 N68 O64 P4 -","4","1","","Iris Thondorf; Frank Broda; Kari Rissanen; Myroslav Vysotsky; Volker Böhmer","Dimeric capsules of tetraurea calix[4]arenes. MD simulations and X-ray structure, a comparison","J. Chem. Soc., Perkin Trans. 2","2002","","11","1796","1800","10.1039/b207082k","","","0.71069","MoKα","","0.1468","0.0904","","","0.187","0.2179","","","","","","1.074","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204500","7.309","0.00014","12.0081","0.0004","13.0629","0.0003","90","","90.441","0.002","90","","1146.46","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R)-piperidinium (S)-Mosher carboxylate","","- C23 H27 F4 N O4 -","- C23 H27 F4 N O4 -","- C46 H54 F8 N2 O8 -","2","1","","Hana Navrátilová; René de Gelder; Zdeněk Kříž","Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid","J. Chem. Soc., Perkin Trans. 2","2002","","12","2093","2099","10.1039/b207176b","","","1.54184","CuKα","","0.0495","0.0468","","0.1573","0.1535","0.1573","","","1.153","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204501","8.9615","0.0002","8.97716","0.00019","14.7286","0.0007","90","","101.862","0.005","90","","1159.6","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R,4S)-piperidinium (S)-Mosher carboxylate","","- C23 H27 F4 N O4 -","- C23 H27 F4 N O4 -","- C46 H54 F8 N2 O8 -","2","1","","Hana Navrátilová; René de Gelder; Zdeněk Kříž","Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid","J. Chem. Soc., Perkin Trans. 2","2002","","12","2093","2099","10.1039/b207176b","","","1.54184","CuKα","","0.0359","0.0337","","0.0936","0.0911","0.0936","","","1.036","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204511","14.787","0.0002","22.7233","0.0003","14.1751","0.0002","90","","90","","90","","4762.97","0.11","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H7 Cl2 N O3 -","- C11 H7 Cl2 N O3 -","- C176 H112 Cl32 N16 O48 -","16","4","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.0877","0.0379","","0.0495","","0.0374","","","0.934","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204512","10.4382","0.0003","10.2875","0.0004","11.4036","0.0005","90","","109.859","0.002","90","","1151.73","0.08","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 Cl2 N O3 -","- C11 H7 Cl2 N O3 -","- C44 H28 Cl8 N4 O12 -","4","1","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.058","0.0334","","0.0436","","0.0376","","","0.845","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204513","7.8027","0.0003","11.2422","0.0005","8.4806","0.0004","90","","111.428","0.002","90","","692.49","0.05","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C24 H28 N4 O12 -","4","1","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.0705","0.0363","","0.0475","","0.0402","","","0.876","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204514","5.8086","0.0002","6.3238","0.0003","8.8391","0.0004","90","","92.435","0.002","90","","324.39","0.02","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C12 H14 N2 O6 -","2","0.5","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.0375","0.0345","","0.0539","","0.0526","","","2.078","","","2.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204908","5.767","0.001","7.971","0.001","13.462","0.001","90","","91.47","0.01","90","","618.63","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-propanoyl-alpha-D-galactopyranoside","","- C10 H18 O7 -","- C10 H18 O7 -","- C20 H36 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0481","0.0432","","0.115","0.1122","","","","1.037","1.068","1.068","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204909","5.77","0.001","7.973","0.001","15.451","0.001","90","","93.69","0.01","90","","709.34","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-pentanoyl-alpha-D-galactopyranoside","","- C12 H22 O7 -","- C12 H22 O7 -","- C24 H44 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0618","0.0533","","0.1503","0.1438","","","","1.01","1.063","1.063","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204910","5.775","0.001","7.946","0.001","17.883","0.001","90","","97.15","0.01","90","","814.24","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-heptanoyl-alpha-D-galactopyranoside","","- C14 H26 O7 -","- C14 H26 O7 -","- C28 H52 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0583","0.0436","","0.1247","0.1025","","","","1.033","1.036","1.036","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204911","5.768","0.001","7.903","0.001","20.114","0.001","90","","96.63","0.01","90","","910.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-nonanoyl-alpha-D-galactopyranoside","","- C16 H30 O7 -","- C16 H30 O7 -","- C32 H60 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0701","0.0515","","0.1337","0.1078","","","","1.06","1.085","1.085","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204912","5.778","0.001","7.903","0.001","22.326","0.001","90","","92.83","0.01","90","","1018.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-undecanoyl-alpha-D-galactopyranoside","","- C18 H34 O7 -","- C18 H34 O7 -","- C36 H68 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0783","0.053","","0.1398","0.1092","","","","1.017","1.062","1.062","","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204913","7.932","0.001","7.101","0.001","10.984","0.001","90","","101.11","0.01","90","","607.08","0.13","293","2","293","2","","","","","","","114.85","3","P 1 21 1","P 2yb","4","","methyl 6-O-propanoyl-beta-D-glucopyranoside","","- C10 H18 O7 -","- C10 H18 O7 -","- C20 H36 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0445","0.0375","","0.0977","0.0932","","","","1.068","1.08","1.08","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204914","7.906","0.001","7.459","0.001","14.218","0.001","90","","102.63","0.01","90","","818.16","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-heptanoyl-beta-D-glucopyranoside","","- C14 H26 O7 -","- C14 H26 O7 -","- C28 H52 O14 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0615","0.045","","0.1226","0.1112","","","","1.026","1.071","1.071","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204915","7.922","0.001","7.45","0.001","15.815","0.001","90","","100.01","0.01","90","","919.18","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-nonanoyl-beta-D-glucopyranoside","","- C16 H30 O7 -","- C15.99 H29.981 O6.998 -","- C31.98 H59.962 O13.996 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.0776","0.05","","0.1322","0.1054","","","","1.064","1.111","1.111","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204916","7.923","0.001","7.437","0.001","17.217","0.001","90","","92.626","0.001","90","","1013.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","methyl 6-O-undecanoyl-beta-D-glucopyranoside","","- C18 H34 O7 -","- C17.988 H33.977 O6.998 -","- C35.976 H67.954 O13.996 -","2","1","","Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki","Crystal structures of glycolipids with odd and even numbered alkyl chains","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","341","","10.1039/a905624f","","","0.71073","MoKα","","0.06","0.0508","","0.1319","0.1259","","","","0.992","1.068","1.068","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204944","9.27","0.002","16.083","0.003","19.858","0.004","90","","90","","90","","2960.6","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 O2 P Se2 -","- C12 H17 O2 P Se2 -","- C96 H136 O16 P8 Se16 -","8","1","","","Conformations of 1,3,6,2-dioxaselenaphosphocanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2374","","10.1039/b008294p","","","0.71073","MoKα","","0.1179","0.0496","","","0.1133","0.1298","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204949","8.6441","0.0005","12.3085","0.0008","13.7443","0.0009","109.514","0.003","94.46","0.003","104.182","0.003","1315.79","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1 ?","","- C35 H28 O3 -","- C35 H28 O3 -","- C70 H56 O6 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.082","0.0538","","","0.1202","0.1356","","","","","","1.055","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204950","8.5651","0.0003","12.4402","0.0004","13.8939","0.0003","109.148","0.002","93.849","0.002","104.62","0.001","1334.91","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2 ?","","- C34 H28 O3 S -","- C34 H22 O3 S -","- C68 H44 O6 S2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.0642","0.0506","","","0.1353","0.1464","","","","","","1.034","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204951","8.5652","0.0002","12.4265","0.0003","13.8868","0.0003","109.155","0.002","93.853","0.003","104.601","0.001","1332.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3 ?","","- C34.42 H28 O3 S0.58 -","- C34 H22 O3 S -","- C68 H44 O6 S2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.0839","0.0701","","","0.1787","0.1901","","","","","","1.036","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204952","8.348","0.001","9.227","0.001","10.369","0.002","96.095","0.008","96.159","0.008","106.679","0.007","752.77","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4 ?","","- C38 H38 O4 -","- C19 H19 O2 -","- C38 H38 O4 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.1041","0.0512","","","0.1017","0.1211","","","","","","1.015","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204984","15.183","0.003","8.656","0.002","11.822","0.002","90","","111.94","0.03","90","","1441.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C64 H80 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A.","Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","318","","10.1039/b106725g","","","0.71073","MoKα","","0.2224","0.0771","","0.3367","0.2161","","","","1.021","1.272","1.272","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204985","9.0694","0.0008","12.1428","0.0011","12.0763","0.0011","90","","99.313","0.002","90","","1312.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A.","Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","318","","10.1039/b106725g","","","0.71073","MoKα","","0.0972","0.05","","0.1506","0.1229","","","","0.744","0.916","0.916","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204986","19.0454","0.0009","14.6856","0.0007","11.0912","0.0005","90","","101.788","0.001","90","","3036.7","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 Br N2 -","- C16 H21 Br N2 -","- C128 H168 Br8 N16 -","8","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A.","Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","318","","10.1039/b106725g","","","0.71073","MoKα","","0.0467","0.0262","","","0.0525","0.0553","","","","","","0.887","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204987","28.4","0.002","11.7675","0.001","10.6404","0.0009","90","","94.721","0.002","90","","3543.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Br N3 -","- C18 H22 Br N3 -","- C144 H176 Br8 N24 -","8","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A.","Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","318","","10.1039/b106725g","","","0.71073","MoKα","","0.1283","0.0368","","0.07","0.0498","","","","0.655","0.914","0.914","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204988","20.531","0.004","7.434","0.001","16.899","0.003","90","","105.34","0.03","90","","2487.4","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","bis(2-methyl-1,4-naphthylene)-22-crown-6","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","1","","Zhang, Wei; Shao, Xiangfeng; Yang, Li; Liu, Zhong-Li; Chow, Yuan L.","Photochemical reactions of diazodihydronaphthalenonesThese compounds are often referred to as naphthoquinone diazides in the literature. in cyclic ethers","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1029","","10.1039/b106968n","","","0.71073","MoKα","","0.0845","0.0385","","","0.1007","0.1391","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204993","7.3483","0.0001","12.1868","0.0002","15.0313","0.0002","90","","98.228","0.001","90","","1332.23","0.03","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 S2 Si4 -","- C20 H32 S2 Si4 -","- C40 H64 S4 Si8 -","2","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.0482","0.0359","","","0.0912","0.0968","","","","","","1.068","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204994","9.846","0.002","9.03","0.002","16.153","0.003","90","","90","","90","","1436.2","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,10-Dithiacyclooctadeca-3,7,12,16-tetrayne (5)","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.063","0.041","","","0.103","0.115","","","","","","1.07","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204995","17.0312","0.0001","5.0495","0.0001","22.4681","0.0001","90","","106.752","0.001","90","","1850.23","0.04","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 S2 -","- C20 H24 S2 -","- C80 H96 S8 -","4","1","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.0523","0.0362","","","0.0882","0.097","","","","","","1.019","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204996","9.8778","0.0002","9.574","0.0002","28.605","0.0001","90","","90","","90","","2705.18","0.08","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 S8 -","- C22 H28 S8 -","- C88 H112 S32 -","4","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.0365","0.0291","","","0.0693","0.0731","","","","","","1.115","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204997","11.6465","0.0004","9.3011","0.0003","10.0017","0.0004","90","","101.196","0.001","90","","1062.82","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 S8 -","- C16 H16 S8 -","- C32 H32 S16 -","2","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.0613","0.0395","","","0.0992","0.1101","","","","","","1.049","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204998","7.03","0.002","9.911","0.002","11.019","0.005","90","","99.643","0.004","90","","756.9","0.4","100","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N S -","- C4 H10 N2 S2 -","- C16 H40 N8 S8 -","4","1","","Hambley, Trevor W.; Hibbs, David E.; Turner, Peter; Howard, Siân T.; Hursthouse, Michael B.","Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","235","","10.1039/b109353c","","","0.71069","MoK/a","","","0.0265","","","0.0278","","","","","1.3","1.3","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204999","12.6113","0.0017","16.164","0.002","5.8952","0.0018","90","","90","","90","","1201.7","0.4","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","1,1-bis(1',1',3',3'-tetramethylisoindolin-2'-yloxyl-5'-yl)ethane","","- C26 H34 N2 O2 -","- C26 H32 N2 O2 -","- C52 H64 N4 O4 -","2","0.5","","Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham","New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","533","","10.1039/b109485h","","","0.71069","MoKα","","0.0771","0.0574","","","0.1723","0.1824","","","","","","1.425","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205000","6.332","0.002","13.4029","0.0017","11.2087","0.0017","90","","92.007","0.019","90","","950.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,5,6,7-hexahydro-1,1,3,3,5,5,7,7-octamethylbenzo[1,2-c:4,5-c']- dipyrrol-2,6-diyloxyl","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","0.5","","Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham","New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","533","","10.1039/b109485h","","","0.71069","MoKα","","0.2415","0.0731","","","0.2023","0.2581","","","","","","1.166","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205004","16.6711","0.0003","10.6712","0.0002","24.3875","0.0005","90","","101.435","0.001","90","","4252.43","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene","","- C34 H36 O2 -","- C34 H30 O2 -","- C204 H180 O12 -","6","1.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.1049","0.0752","","","0.1953","0.2214","","","","","","1.005","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205005","9.0806","0.0003","8.9414","0.0004","14.935","0.001","74.477","0.002","88.693","0.002","110.189","0.003","1087.67","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(N,N-dimethylformamide) clathrate","","- C46 H64 N4 O6 -","- C46 H64 N4 O6 -","- C46 H64 N4 O6 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.0991","0.0583","","","0.1497","0.1811","","","","","","1.023","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205006","9.0858","0.0002","9.0547","0.0002","14.7684","0.0004","107.144","0.001","91.527","0.001","70.236","0.002","1089","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 3(N,N-dimethylformamide). 1(dimethyl sulfoxide) clathrate","","- C45 H63 N3 O6 S -","- C45 H36 N3 O6 S -","- C45 H36 N3 O6 S -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.142","0.1166","","","0.3845","0.4104","","","","","","1.651","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205007","9.1425","0.0003","9.173","0.0003","14.273","0.001","71.356","0.001","81.229","0.001","69.938","0.001","1064.13","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 2(N,N-dimethylformamide). 2(dimethyl sulfoxide) clathrate","","- C44 H62 N2 O6 S2 -","- C44 H54 N2 O6 S2 -","- C44 H54 N2 O6 S2 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.1179","0.0902","","","0.2445","0.2706","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205008","9.046","0.0002","9.1291","0.0002","14.409","0.001","72.559","0.001","80.132","0.001","71.486","0.002","1072.64","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 1(N,N-dimethylformamide). 3(dimethyl sulfoxide) clathrate.","","- C43 H61 N O6 S3 -","- C43 H48 N O5.5 S3.26 -","- C43 H48 N O5.5 S3.26 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.0961","0.0816","","","0.2087","0.2228","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205009","9.0359","0.0003","9.1353","0.0003","14.4126","0.0006","72.981","0.001","80.086","0.001","71.631","0.002","1075.44","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(dimethyl sulfoxide) clathrate","","- C42 H60 O6 S4 -","- C42 H36 O6 S4 -","- C42 H36 O6 S4 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.1003","0.0893","","","0.2546","0.269","","","","","","0.998","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205010","8.9057","0.0002","26.9049","0.0006","9.1615","0.0002","90","","108.59","0.001","90","","2080.62","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(acetone) clathrate","","- C46 H60 O6 -","- C46 H42 O6 -","- C92 H84 O12 -","2","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.1126","0.0596","","","0.1679","0.2069","","","","","","0.917","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205011","8.9932","0.0001","9.1674","0.0001","14.3817","0.0002","108.326","0.001","92.808","0.001","70.886","0.001","1061.57","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 2(N,N-dimethylformamide). 2(acetone) clathrate","","- C46 H62 N2 O6 -","- C46 H30 N2 O6 -","- C46 H30 N2 O6 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.1","0.0828","","","0.2396","0.2551","","","","","","1.097","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205012","8.9424","0.0018","9.1788","0.0018","14.345","0.003","72.25","0.03","79.8","0.03","71.09","0.03","1056.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 2(dimethyl sulfoxide). 2(acetone) clathrate","","- C44 H60 O6 S2 -","- C44.08 H48 O4 S2 -","- C44.08 H48 O4 S2 -","1","0.5","","Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","1973","","10.1039/b110987c","","","0.71073","MoKα","","0.0935","0.0793","","","0.2195","0.2332","","","","","","1.057","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205013","11.072","0.004","9.078","0.004","12.442","0.004","90","","101.65","0.03","90","","1224.8","0.8","293.2","","293.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br4 -","- C10 H12 Br4 -","- C40 H48 Br16 -","4","1","","Lightfoot, Phillip; Pareschi, Patrizia; Walton, John C.","Comparison of hydrogen abstraction and homolytic substitution in pentacyclo[4.n.0.02,5.03,8.04,7]alkanesElectronic supplementary information (ESI) available: experimental details (GC-MS) for photobrominations of basketane and homocubane. See http://www.rsc.org/suppdata/p2/b2/b200699e/","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","918","","10.1039/b200699e","","","0.7107","MoKalpha","","","0.089","","","0.084","","","","","2.407","2.407","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205018","7.2179","0.0015","14.926","0.003","26.015","0.004","90","","90","","90","","2802.7","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-1-cyano-1,2-bis(2-methoxyphenyl)ethene","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Vande Velde, Christophe M. L.; Blockhuys, Frank; Alsenoy, Christian Van; Lenstra, Albert T. H.; Geise, Herman J.","Structural effects influencing cis‒trans isomerisation in methoxy and cyano substituted stilbene derivativesElectronic supplementary information (ESI) available: Cartesian coordinates for the calculated geometries of 1‒3 and (E)- and (Z)-stilbene. See http://www.rsc.org/suppdata/p2/b2/b201623k/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1345","","10.1039/b201623k","","","0.71073","MoKα","","0.1222","0.0764","","","0.1233","0.1527","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205019","10.415","0.003","11.437","0.002","11.705","0.003","90","","113.86","0.02","90","","1275.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-cyano-2-(2-methoxyphenyl)-1-phenylethene","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Vande Velde, Christophe M. L.; Blockhuys, Frank; Alsenoy, Christian Van; Lenstra, Albert T. H.; Geise, Herman J.","Structural effects influencing cis‒trans isomerisation in methoxy and cyano substituted stilbene derivativesElectronic supplementary information (ESI) available: Cartesian coordinates for the calculated geometries of 1‒3 and (E)- and (Z)-stilbene. See http://www.rsc.org/suppdata/p2/b2/b201623k/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1345","","10.1039/b201623k","","","0.71073","MoKα","","0.1847","0.0611","","","0.1364","0.1862","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205021","9.2817","0.0015","10.5236","0.0017","10.5688","0.0017","90","","90","","90","","1032.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O5 S -","- C8 H13 N O5 S -","- C32 H52 N4 O20 S4 -","4","1","","Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.","Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates","Journal of the Chemical Society, Perkin Transactions 2","2002","","6","1066","","10.1039/b202231a","","","0.71073","MoKα","","0.0223","0.0219","","","0.0544","0.0546","","","","","","1.293","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205022","19.486","0.003","8.35","0.0014","6.557","0.003","90","","90","","90","","1066.9","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H13 N O5 S -","- C8 H13 N O5 S -","- C32 H52 N4 O20 S4 -","4","0.5","","Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.","Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates","Journal of the Chemical Society, Perkin Transactions 2","2002","","6","1066","","10.1039/b202231a","","","0.71069","MoKα","","0.0448","0.0336","","","0.0726","0.0772","","","","","","1.062","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205039","7.171","0.003","11.543","0.002","65.146","0.007","90","","90","","90","","5392","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[4-(N,N-diacetyloxyamino)phenylazo]phenyl}- 5-(4-nitrophenyl)-[1,3,4]-oxadiazole","","- C28 H26 N6 O7 -","- C28 H26 N6 O7 -","- C224 H208 N48 O56 -","8","1","","Carella, Antonio; Castaldo, Anna; Centore, Roberto; Fort, Alain; Sirigu, Augusto; Tuzi, Angela","Synthesis and second order nonlinear optical properties of new chromophores containing 1,3,4-oxadiazole and thiophene rings","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1791","","10.1039/b207230k","","","1.54178","CuKα","","0.2809","0.0793","","","0.2046","0.2893","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7212952","10.0491","0.0002","31.5976","0.0008","11.6546","0.0003","90","","93.197","0.001","90","","3694.9","0.15","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","[C60Me4Ph(OH)(O)2]","","","- C70 H18 O3 -","- C70 H17.691 O3 -","- C280 H70.764 O12 -","4","1","","Hamad Al-Matar; Ala'a K. Abdul-Sada; Anthony G. Avent; Patrick W. Fowler; Peter B. Hitchcock; Kevin M. Rogers; Roger Taylor","Isolation and characterisation of symmetrical C60Me6, C60Me5Cl and C60Me5O2OH, together with unsymmetrical C60Me5O3H, C60Me5OOH, C60Me4PhO2OH, and C60Me12; fragmentation of methylfullerenols to C58","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","53","58","10.1039/b108292m","","x-ray","0.71073","MoKα","","0.0586","0.045","","","0.0993","0.1058","","","","","","1.088","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212953","11.6277","0.0006","19.6831","0.001","15.1972","0.0008","90","","100.541","0.003","90","","3419.5","0.3","173","2","173","2","","","","","","","synthesis as described","2","P 1 21/n 1","-P 2yn","14","[C60Me6]","","","- C66 H18 -","- C66 H18 -","- C264 H72 -","4","1","","Hamad Al-Matar; Ala'a K. Abdul-Sada; Anthony G. Avent; Patrick W. Fowler; Peter B. Hitchcock; Kevin M. Rogers; Roger Taylor","Isolation and characterisation of symmetrical C60Me6, C60Me5Cl and C60Me5O2OH, together with unsymmetrical C60Me5O3H, C60Me5OOH, C60Me4PhO2OH, and C60Me12; fragmentation of methylfullerenols to C58","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","53","58","10.1039/b108292m","","x-ray","0.71073","MoKα","","0.1554","0.1229","","","0.3167","0.3341","","","","","","1.137","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212960","5.4492","0.0019","7.905","0.0012","8.7156","0.0015","108.173","0.017","99.135","0.019","104.05","0.03","334.65","0.16","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H5 N3 O4 S -","- C3 H5 N3 O4 S -","- C6 H10 N6 O8 S2 -","2","1","","Ra, Do Young; Cho, Nam Sook; Kang, Sung Kwon; Choi, Eun Suk; Suh, Il Hwan","Synthetic and tautomeric studies of 5-amino-2,3-dihydro-1,2,4-oxadiazol-3-one","Journal of the Chemical Society, Perkin Transactions 2","1999","","1","81","","10.1039/a806491a","","","0.71073","MoKα","","0.0403","0.0354","","","0.0848","0.088","","","","","","0.986","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212961","7.8955","0.0017","11.486","0.002","28.835","0.006","90","","90","","90","","2615","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 O4 -","- C28 H48 O4 -","- C112 H192 O16 -","4","1","","Drosihn, Susanne; Porzel, Andrea; Voigt, Brunhilde; Brandt, Wolfgang; Wagner, Christoph; Merzweiler, Kurt; Adam, Günter","Conformational studies of two new brassinosteroid analogues with a 22,23-trans diol function","Journal of the Chemical Society, Perkin Transactions 2","1999","","2","233","","10.1039/a807440b","","","0.71073","MoKα","","0.0442","0.0314","","","0.0719","0.0765","","","","","","0.968","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212975","7.987","0.0002","12.6805","0.0004","8.1337","0.0003","90","","105.788","0.002","90","","792.7","0.04","123","2","123","2","","","","","","","","2","P 1 21 1","P 2yb","4","","14,17-Dimethyl-[2](1,3)azuleno[2]paracyclophane","","- C22 H22 -","- C22 H22 -","- C44 H44 -","2","1","","Grimme, Stefan; Mennicke, Wolfram; Vögtle, Fritz; Nieger, Martin","Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane","Journal of the Chemical Society, Perkin Transactions 2","1999","","3","521","","10.1039/a808320g","","","0.71073","MoKα","","0.047","0.0413","","","0.0965","0.0981","","","","","","1.044","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212976","20.979","0.005","12.7224","0.0011","17.618","0.006","90","","98.88","0.03","90","","4646","2","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 O9 -","- C54 H58 O9 -","- C216 H232 O36 -","4","1","","Kim, Jong Seung; Pang, Jin Hyun; Yu, Ill Yong; Lee, Won Ku; Suh, Il Hwan; Kim, Jong Kuk; Cho, Moon Hwan; Kim, Eun Tae; Ra, Do Young","Calix[4]arene dibenzocrown ethers as caesium selective extractants","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","837","","10.1039/a808499h","","","0.71069","MoKα","","0.2107","0.0893","","","0.1397","0.164","","","","","","1.32","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212977","13.11","0.004","18.355","0.003","11.861","0.01","90","","97.92","0.04","90","","2827","3","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H74 O9 -","- C62 H74 O9 -","- C124 H148 O18 -","2","1","","Kim, Jong Seung; Pang, Jin Hyun; Yu, Ill Yong; Lee, Won Ku; Suh, Il Hwan; Kim, Jong Kuk; Cho, Moon Hwan; Kim, Eun Tae; Ra, Do Young","Calix[4]arene dibenzocrown ethers as caesium selective extractants","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","837","","10.1039/a808499h","","","0.71073","MoKα","","0.2116","0.0619","","","0.0873","0.1554","","","","","","0.872","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212987","10.974","0.001","11.421","0.001","11.698","0.001","114.18","0.004","93.573","0.005","116.809","0.006","1137.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cl2 Cu N4 O20 -","- C18 H26 Cl Cu0.5 N2 O10 -","- C36 H52 Cl2 Cu N4 O20 -","2","1","","Lebon, Florence; Ledecq, Marie; Benatallah, Zohra; Sicsic, Sames; Lapouyade, René; Kahn, Olivier; Garçon, Arnaud; Reboud-Ravaux, Michèle; Durant, François","Synthesis and structural analysis of copper(II) pyridine amide complexes as HIV-1 protease inhibitors","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","795","","10.1039/a809270b","","","1.54179","CuKa","","0.0493","0.0473","","0.1416","0.1375","","","","1.082","1.1","1.1","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212988","8.544","0.001","8.858","0.001","13.707","0.001","88.05","0.005","72.984","0.005","64.944","0.004","893.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Cl2 Cu N4 O12 -","- C18 H16 Cl Cu0.5 N2 O6 -","- C36 H32 Cl2 Cu N4 O12 -","2","1","","Lebon, Florence; Ledecq, Marie; Benatallah, Zohra; Sicsic, Sames; Lapouyade, René; Kahn, Olivier; Garçon, Arnaud; Reboud-Ravaux, Michèle; Durant, François","Synthesis and structural analysis of copper(II) pyridine amide complexes as HIV-1 protease inhibitors","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","795","","10.1039/a809270b","","","1.54178","CuKa","","0.0463","0.0432","","0.1135","0.1116","","","","1.04","1.07","1.07","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212989","14.84","0.001","6.813","0.001","22.68","0.001","90","","97.796","0.006","90","","2271.9","0.4","295","","295","","","","","","","","by syntheses","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.","Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","807","","10.1039/a809497g","","","0.71073","MoKα","","0.05","0.0388","","","0.1102","0.1154","","","","","","1.032","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212990","14.831","0.001","6.718","0.001","22.66","0.005","90","","97.61","0.005","90","","2237.8","0.6","130","","130","","","","","","","","by syntheses","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.","Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","807","","10.1039/a809497g","","","0.71073","MoKα","","0.0482","0.0359","","","0.0951","0.1001","","","","","","1.05","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212996","18.026","0.002","23.45","0.003","22.744","0.002","90","","90.299","0.009","90","","9614","1.8","293","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H80 Cu4 N8 O20 S4 -","- C104 H72 Cu4 N8 O18 S4 -","- C416 H288 Cu16 N32 O72 S16 -","4","1","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif","Journal of the Chemical Society, Perkin Transactions 2","1999","","5","975","","10.1039/a809743g","","","0.71073","MoKα","","0.1624","0.0667","","0.2381","0.1652","","","","1.021","1.171","1.171","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212997","17.198","0.003","14.079","0.002","13.644","0.003","90","","112.801","0.011","90","","3045.5","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H37 Cl3 Cu2 N4 O6 -","- C54 H36 Cl6 Cu2 N4 O6 -","- C108 H72 Cl12 Cu4 N8 O12 -","2","0.5","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif","Journal of the Chemical Society, Perkin Transactions 2","1999","","5","975","","10.1039/a809743g","","","0.71073","MoKα","","0.0828","0.0548","","0.2027","0.1439","","","","1.07","1.094","1.094","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212999","11.928","0.001","8.302","0.001","15.736","0.001","90","","103.34","0.01","90","","1516.2","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,9-di(methylsulfanyl)acenaphthyleno[1,2-b][1,4]dithiine","","- C16 H12 S4 -","- C16 H12 S4 -","- C64 H48 S16 -","4","1","","Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal","The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","755","","10.1039/a809872g","","","0.71073","MoKα","","0.0763","0.0466","","0.1048","0.0829","","","","1.106","1.134","1.134","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213000","19.451","0.001","18.738","0.001","6.883","0.001","90","","90","","90","","2508.7","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","8,9-di(methylsulfanyl)acenaphthyleno[1,2-b][1,4]dithiine 7,7,8,8-tetracyano-p-quinodimethane (1:1)","","- C28 H16 N4 S4 -","- C28 H16 N4 S4 -","- C112 H64 N16 S16 -","4","0.5","","Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal","The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","755","","10.1039/a809872g","","","0.71073","MoKα","","0.0827","0.058","","0.1444","0.1275","","","","1.128","1.183","1.183","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213001","7.848","0.001","10.295","0.001","17.309","0.001","77.29","0.01","83.47","0.01","89.59","0.01","1355.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","8,9-di(methylsulfanyl)acenaphthyleno[1,2-b][1,4]dithiine 2,5-dibromo-7,7,8,8-tetracyano-p-quinodimethane (1:1)","","- C28 H14 Br2 N4 S4 -","- C28 H14 Br2 N4 S4 -","- C56 H28 Br4 N8 S8 -","2","1","","Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal","The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","755","","10.1039/a809872g","","","0.71073","MoKα","","0.054","0.0344","","0.0809","0.0671","","","","1.108","1.067","1.067","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213002","10.42","0.001","11.263","0.001","13.087","0.001","64.76","0.01","78.8","0.01","79.74","0.01","1354.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","8,9-di(methylsulfanyl)acenaphthyleno[1,2-b][1,4]dithiine bis(diiodine) triiodide","","- C16 H12 I7 S4 -","- C16 H12 I7 S4 -","- C32 H24 I14 S8 -","2","1","","Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal","The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","755","","10.1039/a809872g","","","0.71073","MoKα","","0.0569","0.0395","","0.0992","0.0881","","","","1.104","1.109","1.109","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213009","4.881","0.001","9.764","0.001","11.582","0.001","70.542","0.008","88.603","0.008","85.52","0.008","518.86","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O4 S4 -","- C21 H17 N O4 S4 -","- C21 H17 N O4 S4 -","1","0.5","","Bueno, B.; Esteve, B.; Irurre, J.; Brillas, E.; Torrelles, X.; Rius, J.; Alvarez-Larena, A.; Piniella, J. F.; Alemán, C.; Juliá, L.","Methyl- and methoxy-substituted di[1,4]benzodithiio[2,3-b:2,3-e]pyridines as new electron donor compounds: synthesis, molecular structure, electrochemical properties, and EPR studies","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1503","","10.1039/a900148d","","","0.71069","MoKα","","0.0946","0.0444","","0.1155","0.1077","","","","1.071","1.239","1.239","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213010","8.1","0.001","12.52","0.003","18.733","0.003","90","","95.22","0.01","90","","1891.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Aza-2,3,9,10-tetramethyl-5,7,12,14-tetrathiapentacene","","- C21 H17 N S4 -","- C21 H17 N S4 -","- C84 H68 N4 S16 -","4","1","","Bueno, B.; Esteve, B.; Irurre, J.; Brillas, E.; Torrelles, X.; Rius, J.; Alvarez-Larena, A.; Piniella, J. F.; Alemán, C.; Juliá, L.","Methyl- and methoxy-substituted di[1,4]benzodithiio[2,3-b:2,3-e]pyridines as new electron donor compounds: synthesis, molecular structure, electrochemical properties, and EPR studies","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1503","","10.1039/a900148d","","","0.71069","MoKα","","0.0689","0.0358","","0.0913","0.0875","","","","0.913","1.102","1.102","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213013","7.352","0.003","7.357","0.002","8.938","0.002","87.39","0.02","100.03","0.03","72.66","0.03","452","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","compound 3a","","","- C7 H10 Cl N3 O2 -","- C7 H10 Cl N3 O2 -","- C14 H20 Cl2 N6 O4 -","2","1","","Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline","Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1481","","10.1039/a900289h","","","0.71069","MoKa","","0.0989","0.0566","","0.1311","0.1204","","","","0.945","1.134","1.134","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213014","6.832","0.002","9.076","0.006","9.679","0.003","87.86","0.04","101.21","0.03","88.92","0.04","588.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","compound 3b","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C24 H26 N6 O6 -","2","1","","Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline","Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1481","","10.1039/a900289h","","","1.54178","CuKa","","0.0754","0.0561","","0.1533","0.1447","","","","1.002","1.137","1.137","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213015","12.022","0.004","8.616","0.002","13.244","0.004","90","","114.22","0.03","90","","1251.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","compoud 5b","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline","Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1481","","10.1039/a900289h","","","0.71069","MoKa","","0.1642","0.0679","","0.1249","0.1054","","","","0.849","1.217","1.217","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213019","7.3605","0.0001","13.2811","0.0002","12.3457","0.0002","90","","90.496","0.001","90","","1206.82","0.03","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Si2 -","- C10 H16 Si2 -","- C40 H64 Si8 -","4","1","","Haberhauer, Gebhard; Rominger, Frank; Gleiter, Rolf","1,1,2,2-Tetramethyl-1,2-disilacycloocta-3,7-diyne — structure and bonding properties of a highly strained cyclic diyne","Journal of the Chemical Society, Perkin Transactions 2","1999","","5","947","","10.1039/a900318e","","","0.71073","MoKα","","0.0369","0.0285","","","0.0746","0.078","","","","","","1.04","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213046","16.008","0.003","15.932","0.003","9.647","0.002","90","","90","","90","","2460.4","0.8","293","2","293","2","","","","","","","synthesized at Adam Mickiewicz University","4","P b c a","-P 2ac 2ab","61","5-(N-piperidine)valeric acid dihydrate","","","- C10 H23 N O4 -","- C10 H23 N O4 -","- C80 H184 N8 O32 -","8","1","","Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","Conformations of, and NHO hydrogen bond in, piperidine-1-valeric acid and its dihydrate","Journal of the Chemical Society, Perkin Transactions 2","1999","","9","1967","","10.1039/a901635j","","","1.54178","CuKα","","0.0873","0.0612","","0.207","0.1973","","","","1.1","0.894","0.894","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213050","24.645","0.005","9.058","0.002","19.58","0.004","90","","112.52","0.03","90","","4037.6","1.7","120","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,17-Diphenyl-25,26,27,28-tetrapropoxy-calixarene","","- C52 H56 O4 -","- C52 H56 O4 -","- C208 H224 O16 -","4","0.5","","Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel","Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1749","","10.1039/a901881f","","","0.71073","MoKα","","0.159","0.073","","0.208","0.1543","","","","1.061","1.108","1.108","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213051","30.89","0.006","9.59","0.002","18.151","0.004","90","","123.02","0.03","90","","4508","2","120","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,17-Bis(3-bromophenyl)-25,26,27,28-tetrapropoxycalixarene","","- C52 H54 Br2 O4 -","- C52 H54 Br2 O4 -","- C208 H216 Br8 O16 -","4","0.5","","Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel","Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1749","","10.1039/a901881f","","","0.71073","MoKα","","0.076","0.0512","","0.1431","0.1234","","","","1.023","1.039","1.039","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213052","10.854","0.002","12.946","0.003","19.085","0.004","109.39","0.03","98.08","0.03","99.64","0.03","2437.8","1.1","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,17-bis(1-naphthyl)-25,26,27,28-tetrapropoxycalixarene","","- C62 H63 N O4 -","- C61 H61.5 N0.5 O4 -","- C122 H123 N O8 -","2","1","","Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel","Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1749","","10.1039/a901881f","","","0.71073","MoKα","","0.0754","0.0512","","0.1431","0.1252","","","","1.029","1.063","1.063","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213053","13.047","0.003","14.178","0.003","15.207","0.003","115.31","0.03","96.69","0.03","95.82","0.03","2489.6","1.2","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,17-Bis(9H-Carbazol-9-yl)-25,26,27,28-tetrapropoxycalixarene","","- C64 H62 N2 O4 -","- C64 H62 N2 O4 -","- C128 H124 N4 O8 -","2","1","","Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel","Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1749","","10.1039/a901881f","","","0.71073","MoKα","","0.0931","0.0486","","0.1285","0.106","","","","1.042","1.085","1.085","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213056","6.006","0.004","9.517","0.004","10.396","0.005","78.99","0.03","73.84","0.05","85.86","0.05","560.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O8 -","- C9 H8 N2 O8 -","- C18 H16 N4 O16 -","2","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1331","0.0578","","","0.1469","0.1766","","","","","","0.991","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213057","6.6852","0.0008","9.7347","0.0018","10.5534","0.0018","79.468","0.017","80.152","0.014","82.99","0.012","662.35","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O9 -","- C11 H12 N2 O9 -","- C22 H24 N4 O18 -","2","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1128","0.0568","","","0.1368","0.1541","","","","","","1.03","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213058","9.149","0.015","11.912","0.003","13.318","0.004","111.22","0.03","90.13","0.06","101.12","0.04","1323","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O9 -","- C11 H11.25 N2 O9 -","- C44 H45 N8 O36 -","4","2","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1169","0.063","","","0.1642","0.1883","","","","","","1.049","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213059","11.3053","0.001","6.0266","0.0005","16.9126","0.0002","90","","97.921","0.009","90","","1141.3","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 N2 O8 -","- C9.001 H4 N2 O8 -","- C36.004 H16 N8 O32 -","4","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1348","0.0704","","","0.2114","0.2424","","","","","","1.045","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213060","16.487","0.004","5.8204","0.0016","13.462","0.004","90","","132.58","0.02","90","","951.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H6 N2 O8 -","- C7 H6 N2 O8 -","- C28 H24 N8 O32 -","4","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1226","0.0592","","","0.1143","0.1296","","","","","","1.012","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213061","10.29","0.004","5.972","0.003","22.928","0.007","90","","90","","90","","1409","1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H14 N2 O8 -","- C11 H14 N2 O8 -","- C44 H56 N8 O32 -","4","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.0923","0.0499","","","0.1191","0.136","","","","","","0.984","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213071","10.4032","0.0012","14.172","0.002","18.893","0.002","90","","90","","90","","2785.5","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H13 N O -","- C19 H13 N O -","- C152 H104 N8 O8 -","8","2","","Noh, Taehee; Jeon, Kyungmoon; Jeong, Youngmee; Jang, Shinho; Min, Kil Sik","Synthesis of 9-cyanophenanthrene‒furan and ‒benzene cyclodimers and their reversion","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1299","","10.1039/a902714i","","","0.71069","MoKα","","0.1153","0.0529","","0.1757","0.1161","","","","0.887","1.119","1.119","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213076","17.537","0.002","16.113","0.007","23.487","0.005","90","","94.814","0.012","90","","6613","3","296","","296","","","","","","","","Synthesized","5","P 1 21/n 1","-P 2yn","14","","[(2-Cyanoethyl-C^1^)bis(dimethylglyoximato-N,N') (isonicotinic acid-N)cobalt(III)][dicyclohexylamine]","","- C29 H46 Co N7 O6 -","- C29 H46 Co N7 O6 -","- C232 H368 Co8 N56 O48 -","8","2","","Hashizume, Daisuke; Ohashi, Yuji","Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1689","","10.1039/a902900a","","","0.71073","MoKα","","0.1423","0.0573","","0.1693","0.1367","","","","1.024","1.169","1.169","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213077","17.477","0.002","16.439","0.002","23.6056","0.0015","90","","95.74","0.007","90","","6748","1.2","296","","296","","","","","","","","Synthesized","5","P 1 21/n 1","-P 2yn","14","","[(2-Cyanoethyl-C^1^)bis(dimethylglyoximato-N,N') (isonicotinic acid-N)cobalt(III)] [cycloheptylcyclohexylamine]","","- C30 H48 Co N7 O6 -","- C30 H48 Co N7 O6 -","- C240 H384 Co8 N56 O48 -","8","2","","Hashizume, Daisuke; Ohashi, Yuji","Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1689","","10.1039/a902900a","","","0.71073","MoKα","","0.1161","0.0573","","0.4121","0.1779","","","","1.101","1.19","1.19","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213078","17.556","0.003","16.604","0.003","24.058","0.003","90","","95.817","0.011","90","","6976.8","1.9","296","","296","","","","","","","","Synthesized","5","P 1 21/n 1","-P 2yn","14","","[(2-Cyanoethyl-C^1^)bis(dimethylglyoximato-N,N') (isonicotinic acid-N)cobalt(III)] [cyclohexylcyclooctylamine]","","- C31 H50 Co N7 O6 -","- C31 H50 Co N7 O6 -","- C248 H400 Co8 N56 O48 -","8","2","","Hashizume, Daisuke; Ohashi, Yuji","Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host‒guest complex crystals","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1689","","10.1039/a902900a","","","0.71073","MoKα","","0.1586","0.0761","","0.2737","0.2215","","","","1.067","1.24","1.24","","","","","has coordinates,has disorder","180461","2020-10-21","18:00:00",""
"7213089","10.945","0.008","25.07","0.011","16.53","0.01","90","","104.71","0.05","90","","4387","5","295","","295","","","","","","","","synthesis in laboratory","3","P 1 21/n 1","-P 2yn","14","","anti-(2-anisyl)di(1-adamantyl)methane","","- C28 H38 O -","- C28 H38 O -","- C224 H304 O8 -","8","2","","Lomas, John S.; Vaissermann, Jacqueline","Competing intermolecular and intramolecular hydride transfers in the ionic hydrogenation of (2-alkoxyphenyl)di(1-adamantyl)methanols †","Journal of the Chemical Society, Perkin Transactions 2","1999","","8","1639","","10.1039/a903303c","","","0.71069","MoKα","","","0.0527","","","0.0665","","","","","0.8625","0.8625","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213091","28.1031","0.0012","28.1031","0.0012","7.1509","0.0004","90","","90","","120","","4891","0.4","298","2","298","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C32 H24 -","- C32 H24 -","- C288 H216 -","9","0.5","","Yu, Richeng; Yakimansky, Alexander; Voigt-Martin, Ingrid G.; Fetten, Michael; Schnorpfeil, C.; Schollmeyer, Dieter; Meier, Herbert","Tetrabenzo[ab, f, jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization","Journal of the Chemical Society, Perkin Transactions 2","1999","","9","1881","","10.1039/a903451j","","","1.54178","CuKα","","0.0886","0.0516","","","0.1236","0.1404","","","","","","1.024","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213102","21.055","0.013","14.453","0.008","5.099","0.002","90","","90","","90","","1551.7","1.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H20 O5 -","- C18 H18.75 O5 -","- C72 H75 O20 -","4","0.5","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1078","0.0586","","0.157","0.1362","","","","0.968","1.166","1.166","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213103","9.621","0.01","9.499","0.011","10.262","0.007","90","","115.39","0.06","90","","847.3","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1071","0.0843","","0.2268","0.2071","","","","1.007","1.156","1.156","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213104","17.06","0.007","17.922","0.005","5.552","0.002","90","","90","","90","","1697.5","1","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C19 H22 O5 -","- C19 H21 O5 -","- C76 H84 O20 -","4","0.5","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.0863","0.0494","","0.1252","0.1097","","","","0.916","1.116","1.116","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213105","33.139","0.008","5.064","0.001","20.155","0.003","90","","108.3","0.02","90","","3211.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C144 H160 O48 -","8","1","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.0986","0.0492","","0.1168","0.1021","","","","0.981","1.185","1.185","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213106","17.16","0.003","4.877","0.001","21.453","0.004","90","","112.64","0.01","90","","1657","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1758","0.0669","","0.156","0.1127","","","","1.025","1.153","1.153","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213107","20.295","0.006","8.139","0.003","11.205","0.005","90","","101.19","0.02","90","","1815.7","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1595","0.0676","","0.1747","0.1264","","","","1.032","1.163","1.163","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213109","13.0933","0.0005","23.0093","0.0008","10.3128","0.001","90","","111.328","0.005","90","","2894.1","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H11.5 Cl1.5 N3 O -","- C15.5 H11.5 Cl1.5 N3 O -","- C124 H92 Cl12 N24 O8 -","8","2","","Murguly, Elisa; Norsten, Tyler B.; Branda, Neil","Tautomerism of 4-hydroxyterpyridine in the solid, solution and gas phases: an X-ray, FT-IR and NMR study","Journal of the Chemical Society, Perkin Transactions 2","1999","","12","2789","","10.1039/a904323c","","","1.54178","CuKa","","0.0875","0.0595","","0.1415","0.1241","","","","1.059","1.114","1.114","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213110","15.7087","0.0004","15.7087","0.0004","7.4783","0.0002","90","","90","","120","","1598.14","0.07","161","2","161","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","crystal violet chloride","","","- C25 H48 Cl N3 O9 -","- C25 H48 Cl N3 O9 -","- C50 H96 Cl2 N6 O18 -","2","0.333333","","Lovell, Scott; Marquardt, Brian J.; Kahr, Bart","Crystal violet’s shoulder","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2241","","10.1039/a904367e","","","0.7107","MoKα","","0.0986","0.0792","","","0.2011","0.2278","","","","","","1.067","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213111","10.1887","0.0005","21.4842","0.0011","21.2594","0.0006","90","","94.374","0.003","90","","4640","0.4","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","crystal violet chloride","","","- C25 H32 Cl N3 O -","- C25 H32 Cl N3 O -","- C200 H256 Cl8 N24 O8 -","8","2","","Lovell, Scott; Marquardt, Brian J.; Kahr, Bart","Crystal violet’s shoulder","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2241","","10.1039/a904367e","","","0.7107","MoKα","","0.1462","0.0684","","","0.1574","0.1933","","","","","","1.019","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213113","10.1723","0.0008","10.502","0.0008","12.964","0.001","90","","90","","90","","1384.94","0.19","200","2","200","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,1,2,2-Tetramethyl-1,2-disilacyclodeca-4,8-diyne (8)","","- C12 H20 Si2 -","- C12 H20 Si2 -","- C48 H80 Si8 -","4","0.5","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.0235","0.0228","","0.0614","0.0607","","","","1.1","1.105","1.105","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213114","13.363","0.005","10.52","0.002","11.258","0.005","90","","111.82","0.03","90","","1469.2","0.9","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1,2,2-Tetramethyl-1,2-disilacycloundeca-4,9-diyne (9)","","- C13 H22 Si2 -","- C13 H22 Si2 -","- C52 H88 Si8 -","4","0.5","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.048","0.039","","","0.109","0.115","","","","","","1.05","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213115","10.426","0.0002","12.3151","0.0001","13.0649","0.0002","90","","110.448","0.001","90","","1571.8","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetramethyl-1,2-disilacyclododeca-4,10-diyne (10)","","- C14 H24 Si2 -","- C14 H24 Si2 -","- C56 H96 Si8 -","4","1","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.036","0.0296","","0.0795","0.0755","","","","1.034","1.06","1.06","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213116","10.268","0.002","11.346","0.002","8.679","0.002","111.72","0.03","113.95","0.03","70.04","0.03","836.4","0.4","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","1,1,2,2-Tetramethyl-1,2-disilacyclotrideca-4,11-diyne (11)","","- C15 H26 Si2 -","- C15 H26 Si2 -","- C30 H52 Si4 -","2","1","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.05","0.037","","","0.1","0.107","","","","","","1.12","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213117","11.139","0.002","14.468","0.001","12.472","0.002","90","","97.34","0.02","90","","1993.5","0.5","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,2,2,6,6,7,7-Octamethyl-1,2,6,7-tetrasilacyclodeca- 3,9-diyne (12)","","- C14 H28 Si4 -","- C14 H28 Si4 -","- C56 H112 Si16 -","4","1","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.051","0.032","","","0.086","0.099","","","","","","1.07","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213118","11.725","0.002","12.678","0.001","8.391","0.001","92.44","0.01","110.73","0.01","65.26","0.01","1051.3","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","1,1,2,2,6,6,8,8-Octamethyl-1,2,6,8-tetrasilacycloundeca- 4,9-diyne (13)","","- C15 H30 Si4 -","- C15 H30 Si4 -","- C30 H60 Si8 -","2","1","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.038","0.029","","","0.08","0.087","","","","","","1.06","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213119","8.331","0.001","21.336","0.005","12.51","0.002","90","","100.58","0.01","90","","2185.9","0.7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,2,2,6,6,9,9-Octamethyl-1,2,6,9-tetrasila- cyclododeca-4,10-diyne (14)","","- C16 H32 Si4 -","- C16 H32 Si4 -","- C64 H128 Si16 -","4","1","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.044","0.029","","","0.074","0.084","","","","","","1.07","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213122","15.127","0.009","17.123","0.005","11.304","0.004","90","","90","","90","","2928","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(±)-4a-Hydroxy-4,10a-bis(methoxycarbonyl)-2,11-dimethyl-12syn-(2-pyridyl)- 2,3,4,4at,10,10at-hexahydro-10c,4r-(iminomethano)-1H-pyrido[3,4-b]indolizinium perchlorate monohydroperchlorate","","- C23 H28 Cl2 N4 O14 -","- C23 H28 Cl2 N4 O14 -","- C92 H112 Cl8 N16 O56 -","4","1","","Kuhl, Ulrich; Cambareri, Antonella; Sauber, Christian; Sörgel, Fritz; Hartmann, Rudolf; Euler, Harald; Kirfel, Armin; Holzgrabe, Ulrike","Synthesis, X-ray analysis and spectroscopic characterization of the hemiaminal cyclization product from 2,4-dipyridine substituted 3,7-diazabicyclo[3.3.1]nonanone 1,5-diesters","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2083","","10.1039/a904472h","","","0.71069","MoKα","","0.2647","0.0955","","0.1568","0.1182","","","","1.026","1.2","1.2","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213123","18.3529","0.0012","6.4184","0.0005","19.1454","0.0013","90","","93.695","0.003","90","","2250.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 O6 -","- C23 H23 O6 -","- C92 H92 O24 -","4","1","","Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji","Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2077","","10.1039/a904475b","","","0.71073","MoKα","","0.1682","0.0783","","0.3331","0.1995","","","","1.182","1.214","1.214","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213124","12.6745","0.0007","18.0319","0.0011","19.994","0.0011","84.929","0.003","72.592","0.003","89.799","0.003","4341.9","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O6 -","- C23 H29.75 O6 -","- C184 H238 O48 -","8","4","","Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji","Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2077","","10.1039/a904475b","","","0.71073","MoKα","","0.1559","0.1134","","0.3113","0.259","","","","1.091","1.162","1.162","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213125","12.3657","0.0007","13.0496","0.0005","13.4977","0.0007","61.992","0.003","76.774","0.002","88.767","0.003","1862.61","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","2","","Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji","Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2077","","10.1039/a904475b","","","0.71073","MoKα","","0.0551","0.0456","","0.1299","0.1183","","","","0.917","0.918","0.918","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213126","24.3829","0.0015","9.896","0.0006","15.7266","0.0005","90","","90","","90","","3794.7","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C160 H216 N8 O40 -","8","1","","Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji","Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2077","","10.1039/a904475b","","","0.71073","MoKα","","0.0821","0.0632","","0.1887","0.1581","","","","1.037","1.068","1.068","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213128","8.1227","0.0005","10.188","0.001","22.116","0.002","90","","91.45","0.006","90","","1829.6","0.3","193.2","","193.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-di-(p-chlorobenzoyl)-N,N'-diethoxyhydrazine","","- C18 H18 Cl2 N2 O4 -","- C18 H18 Cl2 N2 O4 -","- C72 H72 Cl8 N8 O16 -","4","1","","Glover, Stephen A.; Mo, Guoning; Rauk, Arvi; Tucker, David J.; Turner, Peter","Structure, conformation, anomeric effects and rotational barriers in the HERON amides, N,N ′-diacyl-N,N ′-dialkoxyhydrazines","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2053","","10.1039/a904575i","","","1.54178","CuKα","","0.0591","0.0567","","","0.1513","0.154","","","","","","1.053","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213136","9.497","0.001","8.421","0.001","10.087","0.001","90","","95.91","0.01","90","","802.41","0.15","294","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","","Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo","Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2029","","10.1039/a905040j","","","0.71069","MoKα","","0.0371","0.0324","","0.0818","0.0792","","","","1.123","1.153","1.153","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213137","10.118","0.001","10.114","0.002","11.853","0.001","90","","104.2","0.3","90","","1175.9","1.6","298","","298","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Lindemann, Ute; Neuburger, Markus; Neuburger-Zehnder, Margareta; Wulff-Molder, Dirk; Wessig, Pablo","Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2029","","10.1039/a905040j","","","1.54178","CuKα","","","0.04","","","0.0482","","","","","0.9783","0.9783","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213150","6.663","0.004","11.047","0.003","15.062","0.008","68.89","0.04","87.16","0.05","80.26","0.03","1019.3","0.9","295","","295","","","","","","","","direct synthesis by lithiation of 3-methylfuran followed by reaction with diadamantyl ketone and separation from the 4-methylfuranyl derivative by chromatography and crystallization","3","P -1","-P 1","2","","anti[2-(3-methylfuranyl)]di(1-adamantyl)methanol","","- C26 H36 O2 -","- C26 H36 O2 -","- C52 H72 O4 -","2","1","","Lomas, John S.; Lacroix, Jean-Christophe; Vaissermann, Jacqueline","Rotation barriers in aryl- and heteroaryldi(1-adamantyl)methyl systems; the ionic hydrogenation of heteroaryldi(1-adamantyl)methanols","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2001","","10.1039/a905455c","","","0.71069","MoKα","","","0.0734","","","0.0846","","","","","1.1759","1.1759","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213152","12.0573","0.0014","14.6746","0.0017","34.231","0.004","90","","90","","90","","6056.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H76 Cl N14 Na O5 -","- C64 H71 Cl N14 Na O5 -","- C256 H284 Cl4 N56 Na4 O20 -","4","1","","Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David; Peacock, Robert D.; Siligardi, Giuliano","Chiroptical features and luminescence behaviour of macrocyclic tetra(4-quinolyl)-complexes: surprising absence of exciton coupling","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2415","","10.1039/a905512f","","","0.6875","synchrotronradiationatDaresburyLaboratory","","0.1243","0.1044","","","0.2813","0.2916","","","","","","1.092","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213161","8.5328","0.0012","8.5328","0.0012","33.241","0.007","90","","90","","120","","2096","0.6","120","2","120","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C15 H39 Br N4 O4 -","- C15 H39.01 Br N4 O4 -","- C60 H156.04 Br4 N16 O16 -","4","0.666667","","Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Søtofte, Inger","Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane","Journal of the Chemical Society, Perkin Transactions 2","1999","","12","2701","","10.1039/a906244k","","","0.71073","MoKα","","0.1178","0.0695","","0.1622","0.1333","","","","1.096","1.153","1.153","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213172","9.366","0.001","16.003","0.002","7.598","0.001","90","","90","","90","","1138.8","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-fluoroacetyl-(S)-phenylalanine","","- C11 H12 F N O3 -","- C11 H12 F N O3 -","- C44 H48 F4 N4 O12 -","4","1","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","0.71073","MoKα","","0.0335","0.0317","","0.0803","0.0784","","","","1.097","1.099","1.099","","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213173","5.754","0.002","8.139","0.002","24.873","0.002","90","","90","","90","","1164.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-propionyl-(S)-phenylalanine","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","1.54184","CuKα","","0.0467","0.0358","","0.1189","0.0786","","","","1.065","1.071","1.071","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213174","5.367","0.001","8.821","0.004","9.893","0.003","106.65","0.02","101.84","0.02","105.13","0.02","412.8","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","N-phenyl-2-(S)-fluoropropionamide with ca. 10% of N-phenyl-2-(R)-fluoropropionamide","","- C9 H10 F N O -","- C9 H10 F N O -","- C18 H20 F2 N2 O2 -","2","2","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","1.54184","CuKα","","0.0492","0.0431","","0.1536","0.1122","","","","1.092","1.098","1.098","","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213176","7.99","0.01","15.168","0.002","9.7127","0.0013","90","","106.69","0.06","90","","1127.5","1.5","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","2,6,9,13-tetraazabicyclo[12.4.0]octadecane-2,6,9,13-tetraium tetrabromide","","- C14 H36 Br4 N4 O -","- C14 H36 Br4 N4 O -","- C28 H72 Br8 N8 O2 -","2","1","","Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana","Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","899","","10.1039/a904998c","","","0.71073","MoKα","","0.145","0.0467","","0.132","0.0971","","","","1.037","1.065","1.065","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213177","8.033","0.006","8.268","0.007","18.029","0.017","100.01","0.06","94.67","0.05","116.89","0.07","1034.1","1.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","2,6,9,13-tetraazabicyclo[12.4.0]octadecane-2,9-diium diperchlorate","","- C14 H32 Cl2 N4 O8 -","- C14 H32 Cl2 N4 O8 -","- C28 H64 Cl4 N8 O16 -","2","2","","Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana","Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","899","","10.1039/a904998c","","","0.71073","MoKα","","0.2101","0.058","","","0.1207","0.1653","","","","","","0.986","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213178","7.5589","0.0008","9.3566","0.0015","9.4213","0.0009","90","","96.521","0.008","90","","662.02","0.14","293","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O2 -","- C14 H16 Cl N O2 -","- C28 H32 Cl2 N2 O4 -","2","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.0355","0.027","","","0.0611","0.0643","","","","","","1.072","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213179","26.623","0.002","11.443","0.003","10.698","0.002","90","","90","","90","","3259.1","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C144 H176 Cl8 N8 O16 -","8","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.1465","0.0526","","","0.0968","0.1184","","","","","","1.024","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213180","8.941","0.004","12.749","0.004","15.113","0.003","90","","105.06","0.02","90","","1663.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N O2 -","- C18 H20 Cl N O2 -","- C72 H80 Cl4 N4 O8 -","4","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.1232","0.0534","","","0.1221","0.1483","","","","","","1.015","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213181","8.754","0.009","16.647","0.004","11.575","0.002","90","","103.47","0.03","90","","1640.4","1.8","293","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.1049","0.0455","","","0.0995","0.1202","","","","","","1.021","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213182","8.64","0.004","10.747","0.002","17.657","0.0016","90","","90.853","0.017","90","","1639.3","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.085","0.0392","","","0.0827","0.0964","","","","","","1.02","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213183","3.78","0.001","7.621","0.001","10.581","0.002","90","0.01","90.2","0.01","90","0.01","304.81","0.11","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C14 H12 O6 -","2","1","","Sarma, Jagarlapudi A. R. P.; Nagaraju, Akula; Majumdar, Kanak K.; Samuel, Purnima M.; Das, Indira; Roy, Sujit; McGhie, Alistair J.","Solid state nuclear bromination with N-bromosuccinimide. Part 2. Experimental and theoretical studies of reactions with some substituted benzaldehydes †","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1119","","10.1039/a905468e","","","0.7107","MoKα","","0.0399","0.0399","","0.0307","","0.0307","","","2.777","","","2.777","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213184","19.513","0.004","24.024","0.005","16.414","0.003","90","","104.49","0.03","90","","7450","3","13","2","13","2","","","","","","","","3","C 1 2 1","C 2y","5","beta-CD/4,7-dimethylcoumarin heptadecahydrate","","","- C53 H114 O54 -","- C53 H59 O54 -","- C212 H236 O216 -","4","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1095","","10.1039/a906041c","","","0.71073","MoKα","","0.085","0.0805","","","0.2027","0.2063","","","","","","1.109","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213185","9.733","","15.587","","5.722","","90","","99.184","0.002","90","","856.947","0.005","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,7-dimethylcoumarin anti-HT photodimer","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1095","","10.1039/a906041c","","","0.71073","MoKα","","0.1746","0.119","","","0.2829","0.3015","","","","","","2.218","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213186","18.01","0.06","15.53","0.06","15.37","0.06","103.35","0.06","113.22","0.06","99.46","0.06","3684","2","298","2","298","2","","","","","","","","3","P 1","P 1","1","beta-CD/7OH-4ME-coumarin","","","- C104 H200 O98 -","- C104 H112 O98 -","- C104 H112 O98 -","1","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1105","","10.1039/a906042a","","","0.71073","MoKα","","0.078","0.0741","","","0.1954","0.2003","","","","","","1.09","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213187","18.133","0.004","15.479","0.003","15.401","0.003","102.9","0.03","113.35","0.03","99.53","0.03","3709.4","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","beta-CD/7OH-4ME-coumarin photolyzed","","","- C104 H200 O98 -","- C104 H112 O98.5 -","- C104 H112 O98.5 -","1","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1105","","10.1039/a906042a","","","0.71073","MoKα","","0.0785","0.0718","","","0.1901","0.1985","","","","","","1.078","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213188","9.525","0.002","14.705","0.003","24.448","0.005","90","","90","","90","","3424.3","1.2","243","1","243","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","N,N'-bis(9-phenyl-9-xanthenyl)-ethylenediamine.tetrahydrofuran inclusion complex","","- C44 H40 N2 O3 -","- C44 H40 N2 O3 -","- C176 H160 N8 O12 -","4","1","","Barton, Benita; Caira, Mino R.; McCleland, Cedric W.; Taljaard, Benjamin","Synthesis of N,N′-bis(9-phenylxanthen-9-yl)ethylenediamine and an investigation of its host‒guest inclusion potential","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","865","","10.1039/a907232b","","","0.71069","MoKα","","0.1599","0.0512","","","0.1309","0.1465","","","","","","0.945","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213189","10.703","0.002","12.29","0.002","21.49","0.004","90","","90","","90","","2826.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O5 -","- C32 H34 O5 -","- C128 H136 O20 -","4","1","","ysek, Robert; Krajewski, Piotr; Urbańczyk-Lipkowska, Zofia; Furman, Bartłomiej; Kałuża, Zbigniew; Kozerski, Lech; Chmielewski, Marek","Conformation of chiral alkoxyallenes by proton NMR spectroscopy","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","61","","10.1039/a907289f","","","1.54178","CuKα","","0.0419","0.0391","","","0.0996","0.102","","","","","","1.032","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213191","9.0585","0.0014","8.2339","0.0014","14.66","0.003","90","","99.398","0.014","90","","1078.8","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","10,12-dichlorobicyclo[6.3.1]dodeca-1(12),8,10-triene","","- C12 H14 Cl2 -","- C12 H14 Cl2 -","- C48 H56 Cl8 -","4","1","","van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland","Structures and strain energies of small [n]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","793","","10.1039/a907863k","","","0.71073","MoKα","","0.0375","0.0314","","","0.0869","0.0911","","","","","","1.068","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213192","8.9226","0.0014","11.207","0.002","12.067","0.002","111.422","0.014","92.306","0.014","95.988","0.014","1113.2","0.3","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","10,12-dichlorobicyclo[6.3.1]dodeca-1(12),8,10-triene","","- C12 H14 Cl2 -","- C12 H14 Cl2 -","- C48 H56 Cl8 -","4","2","","van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland","Structures and strain energies of small [n]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","793","","10.1039/a907863k","","","0.71073","MoKα","","0.0404","0.0349","","","0.0855","0.0898","","","","","","1.039","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213200","22.32","0.02","21.09","0.02","22.89","0.02","90","","94.583","0.01","90","","10741","17","293","2","293","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C60 H80 N4 O6 -","- C60 H72 N4 O6 -","- C480 H576 N32 O48 -","8","1","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.1851","0.0973","","","0.1999","0.2382","","","","","","1.152","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213201","10.442","0.007","13.208","0.009","23.11","0.02","72.321","0.01","85.089","0.01","73.503","0.01","2912","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H72 N4 O5 -","- C61 H72 N4 O5 -","- C122 H144 N8 O10 -","2","1","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.1096","0.0793","","","0.2218","0.2453","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213202","11.197","0.014","14.68","0.02","17.61","0.02","90.17","0.01","97.249","0.01","92.823","0.01","2868","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Cl4 N3 O10 -","- C56 H71 Cl4 N3 O10 -","- C112 H142 Cl8 N6 O20 -","2","1","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.0761","0.0561","","","0.1676","0.1745","","","","","","1.175","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213203","28","0.02","15.619","0.014","13.818","0.014","90","","90","","90","","6043","9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C76 H40 N6 O6 -","- C61 H76 N6 O6 -","- C244 H304 N24 O24 -","4","0.5","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.0885","0.0557","","","0.1509","0.1621","","","","","","1.06","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213204","10.0872","0.0002","11.797","0.0002","7.7925","0.0002","90","","90","","90","","927.3","0.03","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","","Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","501","","10.1039/a908335i","","","0.71073","MoKα","","0.0428","0.036","","","0.0963","0.1018","","","","","","1.062","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213205","7.1363","0.0002","7.2813","0.0002","11.6544","0.0003","87.8805","0.0018","72.1948","0.0013","82.7986","0.0016","572.03","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C20 H36 N4 O4 -","2","1","","Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","501","","10.1039/a908335i","","","0.71073","MoKα","","0.0442","0.0221","","","0.0281","0.0323","","","","","","0.7211","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213206","14.904","0.006","10.051","0.001","17.289","0.009","90","","98.12","0.02","90","","2563.9","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2(ax)-benzoyloxy-3(ax)-(1,1,3,3-tetramethyl-2,3-dihydro-isoindol-2-ylo xy)-trans- decalin","","- C29 H37 N O3 -","- C29 H36 N O3 -","- C116 H144 N4 O12 -","4","1","","Busfield, W. Ken; Byriel, Karl A.; Grice, I. Darren; Jenkins, Ian D.; Lynch, Daniel E.","The stereoselectivity of addition of benzoyloxyl radicals to trans-Δ2-octalin","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","757","","10.1039/a908455j","","","0.71073","MoKα","","","0.04","","","0.044","","","","","","","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213208","21.396","0.008","5.699","0.004","24.09","0.009","90","","94.45","0.05","90","","2929","3","120","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl3 O4 -","- C33 H30 Cl3 O4 -","- C132 H120 Cl12 O16 -","4","1","","Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid","Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","1053","","10.1039/a908657i","","","0.71073","MoKα","","0.4081","0.1627","","","0.4387","0.5726","","","","","","0.915","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213209","11.431","0.005","6.047","0.001","18.286","0.006","90","","96.69","0.07","90","","1255.4","0.7","120","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid","Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","1053","","10.1039/a908657i","","","0.71073","MoKα","","0.1431","0.0478","","","0.1083","0.1443","","","","","","0.876","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213210","5.73","0.001","12.176","0.001","20.499","0.001","90","","90","","90","","1430.2","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O S -","- C16 H22 O S -","- C64 H88 O4 S4 -","4","1","","Hoffmann, Reinhard W.; Koberstein, Ralf","Chiral organometallic reagents. Part XXV.1 The stereochemistry of the ring opening of cyclopropylallyllithium compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","595","","10.1039/a908668d","","","1.54178","CuKα","","0.0448","0.0428","","","0.1305","0.1317","","","","","","1.213","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213211","7.354","0.001","12.314","0.001","29.346","0.001","90","","90.488","0.001","90","","2657.4","0.4","173","2","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C144 H120 N8 O8 -","8","2","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.1093","0.0614","","","0.1347","0.1522","","","","","","1.11","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213212","7.2831","0.0001","14.4511","0.0005","12.5032","0.0004","90","","90.693","0.002","90","","1315.85","0.06","173","2","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0585","0.046","","","0.1102","0.1178","","","","","","1.042","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213213","7.3719","0.0002","14.455","0.0004","12.5837","0.0003","90","","90.736","0.002","90","","1340.82","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0719","0.0508","","","0.1196","0.1336","","","","","","1.041","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213214","5.903","0.001","7.652","0.001","28.437","0.001","90","","90","","90","","1284.5","0.3","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C68 H48 F4 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0975","0.052","","","0.098","0.1157","","","","","","1.025","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213215","4.47","0.001","12.388","0.001","24.375","0.001","90","","90","","90","","1349.8","0.3","173","0.1","173","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C68 H48 Br4 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0769","0.0453","","","0.0934","0.1095","","","","","","1.051","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213217","9.68","0.003","7.87","0.003","18.254","0.006","90","","95.27","","90","","1384.7","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C32 H80 N24 S8 -","4","1","","Yutronic, Nicolás; Manriquez, Victor; Jara, Paul; Witke, Oscar; Merchán, Juan; González, Guillermo","Bis(thiourea)-1,2-diazabicyclo[2.2.2]octane. A new layered thiourea inclusion compound","Journal of the Chemical Society, Perkin Transactions 2","2000","","8","1757","","10.1039/a908919e","","","0.71073","MoKα","","0.0939","0.0727","","","0.201","0.229","","","","","","1.077","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213218","9.093","0.002","14.257","0.003","8.389","0.002","93.42","0.05","107.21","0.05","84.84","0.05","1034","0.5","295","","295","","","","","","","","......","4","P -1","-P 1","2","","2-Phenyl-3-(2-benzil)imino-3H-indole","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","1","","Greci, Lucedio; Tommasi, Giampaolo; Astolfi, Paola; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara","Radical cations: reactions of 2-phenylindole with aromatic amines under anodic oxidation. β-Scission of an amino alkoxy radical","Journal of the Chemical Society, Perkin Transactions 2","2000","","8","1749","","10.1039/a909035e","","","1.54178","X","","","","","","","0.059","","","","","","0.749","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213219","9.392","0.002","10.962","0.002","17.823","0.004","90","","94.29","0.03","90","","1829.8","0.7","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","","Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian","Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","913","","10.1039/a909259e","","","1.54178","CuKα","","0.0642","0.0554","","0.1571","0.1413","","","","0.942","0.941","0.941","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213220","11.313","0.003","17.082","0.004","19.324","0.007","90","","101.11","0.02","90","","3664.4","1.9","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C144 H216 N8 O16 S8 -","8","2","","Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian","Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","913","","10.1039/a909259e","","","1.54178","MoKα","","0.0764","0.0636","","0.2203","0.1911","","","","1.144","1.174","1.174","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213226","9.637","0.002","15.251","0.003","9.109","0.002","90","","96.86","0.03","90","","1329.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","Liu, You-Cheng; Wang, Hong-Yi; Yang, Qing-Chuan; Mak, Thomas C. W.","Mechanism of reduction of 1,1-diphenyl-2,2-dinitroethylene by 1-benzyl-1,4-dihydronicotinamide: transition state with partial diradical and partial covalent bonding character","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","649","","10.1039/a909716c","","","0.71073","MoKα","","0.0784","0.0587","","","0.144","0.1571","","","","","","1.109","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213237","7.327","0.001","9.042","0.002","18.534","0.004","88.09","0.03","85.07","0.03","68.07","0.03","1134.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid xylene clathrate","","","- C30 H25 O2 -","- C30 H20 O2 -","- C60 H40 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1282","0.066","","0.2253","0.1878","","","","1.038","1.153","1.153","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213238","7.31","0.001","8.994","0.001","18.454","0.002","89.19","0.01","85.75","0.01","68.23","0.01","1123.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid chlorobenzene clathrate","","","- C29 H22.5 Cl0.5 O2 -","- C58 H40 Cl0.5 O4 -","- C58 H40 Cl0.5 O4 -","1","0.5","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1694","0.0755","","0.2716","0.2204","","","","1.039","1.224","1.224","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213239","7.329","0.001","9.044","0.001","18.547","0.001","88.54","0.01","85.33","0.01","67.63","0.01","1133.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid m-xylene clathrate","","","- C30 H25 O2 -","- C30 H20 O2 -","- C60 H40 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1199","0.0519","","0.1925","0.1473","","","","1.023","1.133","1.133","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213240","7.368","0.001","9.01","0.001","18.522","0.001","88","0.01","84.97","0.01","67.94","0.01","1135.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid o-xylene clathrate","","","- C30 H25 O2 -","- C30 H23 O2 -","- C60 H46 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.2179","0.0576","","0.1733","0.133","","","","0.938","1.232","1.232","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213241","7.241","0.002","9.011","0.002","18.916","0.003","84.25","0.02","87.25","0.02","66.66","0.02","1127.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid p-xylene clathrate","","","- C30 H25 O2 -","- C30 H25 O2 -","- C60 H50 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1269","0.0532","","","0.148","0.1716","","","","","","1.051","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213242","7.31","0.001","8.998","0.001","18.464","0.001","89.98","0.01","86.26","0.01","67.5","0.01","1119.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid anisole clathrate","","","- C29.5 H24 O2.5 -","- C30.388 H23.388 O2 -","- C60.776 H46.776 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1485","0.0525","","0.1664","0.1311","","","","0.972","1.199","1.199","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213243","7.39","0.001","13.637","0.001","14.349","0.001","75.92","0.01","81.64","0.01","85.16","0.01","1385.9","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid mesitylene clathrate","","","- C35 H32 O2 -","- C35 H32 O2 -","- C70 H64 O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1321","0.0493","","0.1585","0.1309","","","","1.013","1.215","1.215","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213244","7.3066","0.0002","8.9943","0.0002","18.4963","0.0005","89.764","0.001","85.946","0.001","67.868","0.001","1122.82","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid bromobenzene clathrate","","","- C29 H22.5 Br0.5 O2 -","- C28.5 H19 Br0.5 O2 -","- C57 H38 Br O4 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1185","0.0886","","","0.2516","0.2802","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213245","7.34","0.002","8.982","0.002","18.366","0.004","89.33","0.03","86.14","0.03","67.55","0.03","1116.4","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","4-(triphenylmethyl)benzoic acid nitrobenzene clathrate","","","- C29 H22.5 N0.5 O3 -","- C28.5 H20 O2.5 -","- C57 H40 O5 -","2","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.1446","0.0905","","","0.2718","0.2924","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213246","7.39","0.002","15.477","0.002","33.858","0.002","90","","90","","90","","3872.5","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-(triphenylmethyl)benzoic acid, unsolvated form","","","- C26 H20 O2 -","- C26 H20 O2 -","- C208 H160 O16 -","8","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.16","0.0494","","0.089","0.0529","","","","","1.37","1.37","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213248","10.08","0.002","17.853","0.003","10.185","0.002","90","","107.8","0.1","90","","1745.1","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Z-L-(alphaMe)Val-(L-Ala)2-L-(alphaMe)Val-L-Ala-OMe methanol solvate","","- C31 H51 N5 O9 -","- C31 H51 N5 O9 -","- C62 H102 N10 O18 -","2","1","","Lapeña, Yolanda; Lopez, Pilar; Cativiela, Carlos; Kaptein, Bernard; Broxterman, Quirinus B.; Kamphuis, Johan; Mossel, Eric; Peggion, Cristina; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio","Comparative conformational analysis of peptides based on the two Cα-tetrasubstituted, Cβ-branched, chiral α-amino acids (αMe)Dip and (αMe)Val †","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","631","","10.1039/a909856i","","","1.5418","CuKα","","0.0396","0.0349","","0.1079","0.1057","","","","1.074","1.098","1.098","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213252","27.739","0.001","24.1268","0.0005","12.294","0.0005","90","","92.051","0.006","90","","8222.5","0.5","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C85.5 H108 B F4 N2 Na O8 P2 -","- C85.5 H100 B F4 N2 Na O8 P2 -","- C342 H400 B4 F16 N8 Na4 O32 P8 -","4","1","","Baaden, Marc; Wipff, Georges; Yaftian, Mohamed Reza; Burgard, Michel; Matt, Dominique","Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1315","","10.1039/b000019l","","","0.71073","Mo-Kα","","0.153","0.058","","1.068","","0.081","","","","","","1.485","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7213255","10.114","0.002","4.824","0.001","20.996","0.004","90","","93.6","0.03","90","","1022.4","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F N3 O5 -","- C9 H8 F N3 O5 -","- C36 H32 F4 N12 O20 -","4","1","","O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J.","The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","605","","10.1039/b000205o","","","0.71073","MoKα","","0.0541","0.0387","","","0.0883","0.0969","","","","","","1.062","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213256","9.9569","0.0003","20.4211","0.0008","4.6421","0.0002","90","","90","","90","","943.88","0.06","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H9 F N2 O3 -","- C9 H9 F N2 O3 -","- C36 H36 F4 N8 O12 -","4","1","","O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J.","The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","605","","10.1039/b000205o","","","0.71073","MoKα","","0.0799","0.048","","","0.1197","0.1374","","","","","","0.909","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213266","6.855","0.001","7.551","0.001","14.622","0.001","80.66","0.01","88.46","0.01","87.17","0.01","745.78","0.16","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","2","","Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre","Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","935","","10.1039/b000756k","","","0.71073","MoKα","","0.056","0.042","","0.063","0.063","0.063","","","0.976","1.023","1.023","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213267","7.005","0.001","7.18","0.001","12.018","0.001","83.21","0.01","79.16","0.01","72.66","0.01","565.44","0.13","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C26 H20 N4 O8 -","2","1","","Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre","Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","935","","10.1039/b000756k","","","0.71073","MoKα","","0.136","0.074","","0.15","0.15","0.15","","","1.266","1.445","1.445","1.445","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213268","10.246","0.001","6.106","0.001","20.863","0.001","90","0.01","90.42","0.01","90","0.01","1305.2","0.3","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre","Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study","Journal of the Chemical Society, Perkin Transactions 2","2000","","5","935","","10.1039/b000756k","","","0.71073","MoKα","","0.099","0.048","","0.068","0.068","0.068","","","1.072","1.163","1.163","1.163","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213273","23.1803","0.0015","10.1436","0.0003","14.6585","0.0007","90","","90","","90","","3446.7","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H34 Ca Cl2 N6 O16 -","- C26 H34 Ca Cl2 N6 O16 -","- C104 H136 Ca4 Cl8 N24 O64 -","4","1","","Szumna, Agnieszka; Gryko, Daniel T.; Jurczak, Janusz","Calcium complexes of macrocyclic lactams: their structure and calcium induced conformational changes","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1553","","10.1039/b000966k","","","1.54178","CuKα","","0.0859","0.0743","","","0.173","0.1971","","","","","","1.17","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213281","7.8726","0.0005","5.358","0.0004","18.8596","0.0006","90","","93.633","0.004","90","","793.93","0.08","100","3","100","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","exo-exo-1,4:5,8-diepoxy-1,23,4a,5,8,8a-octahydronaphthalene","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka","7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1483","","10.1039/b001267j","","","1.54184","CuKα","","0.0785","0.0486","","","0.1215","0.1297","","","","","","0.948","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213282","6.517","0.007","18.98","0.01","6.754","0.008","90","","107.16","0.06","90","","798.2","1.4","100","3","100","3","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","endo-exo-1,4:5,8-diepoxy-1,23,4a,5,8,8a-octahydronaphthalene","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka","7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1483","","10.1039/b001267j","","","0.71073","MoKα","","0.1324","0.0611","","","0.148","0.1884","","","","","","1.129","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213288","7.341","0.004","13.56","0.007","7.471","0.004","90","","118.44","0.01","90","","653.9","0.6","119","1","119","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 Cl6 O2 S2 -","- C8 Cl6 O2 S2 -","- C16 Cl12 O4 S4 -","2","0.5","","Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul","Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1453","","10.1039/b001570i","","","1.54178","CuKα","","0.0612","0.0551","","0.1743","0.1653","","","","1.061","1.075","1.075","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213289","22.465","0.004","8.017","0.002","21.376","0.004","90","","100.1","0.1","90","","3790.2","1.8","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N-Dimethyl-diindole[3,2-a;2,3-c]N-methylcarbazole","","- C27 H21 N3 -","- C27 H21 N3 -","- C216 H168 N24 -","8","1","","Greci, Lucedio; Tommasi, Giampaolo; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara; Alberti, Angelo","Oxidative trimerization of indole: on the formation of dications and radical cations by reaction of indole and nitrosobenzene in the presence of acids","Journal of the Chemical Society, Perkin Transactions 2","2000","","11","2337","","10.1039/b001609h","","","1.54178","X","","","0.049","","","","0.054","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213292","9.6167","0.0004","14.6927","0.0006","16.5683","0.0007","90","","94.11","0.001","90","","2335","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00023","","","- C9 H15 N6 O2 -","- C9 H15 N6 O2 -","- C72 H120 N48 O16 -","8","2","","Daro, Nathalie; Sutter, Jean-Pascal; Pink, Maren; Kahn, (the late) Olivier","Concomitant ferro- and antiferromagnetic interactions in an H-bonded molecular ribbon duplex","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1087","","10.1039/b001684p","","","0.71073","MoKα","","0.093","0.0625","","","0.1225","0.1327","","","","","","1.065","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213293","7.776","0.004","5.832","0.003","14.092","0.008","90","","97.65","0.05","90","","633.4","0.6","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Bhat, J. Ishwara; Clegg, William; Maskill, Howard; Elsegood, Mark R. J.; Menneer, Iain D.; Miatt, Peter C.","N-Nitroso-N,O-dialkylhydroxylamines: preparation, structure, and mechanism of the hydronium ion catalysed solvolytic nitrous oxide extrusion reaction","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1435","","10.1039/b001688h","","","0.71073","MoKα","","0.0588","0.0523","","","0.1111","0.1158","","","","","","1.298","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213294","23.4127","0.0009","7.1091","0.0002","14.806","0.0006","90","","108.146","0.003","90","","2341.8","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/quinoline complex","","- C41 H59 N7 O15 S2 -","- C41 H57 N7 O15 S2 -","- C82 H114 N14 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0332","0.0329","","0.092","0.0915","0.092","","","1.061","","","1.061","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213295","23.471","0.002","7.1215","0.001","14.9304","0.0019","90","","108.268","0.014","90","","2369.8","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/alpha-naphthol complex","","- C42 H58 N6 O15 S2 -","- C42 H46 N6 O15 S2 -","- C84 H92 N12 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1431","0.0756","","0.2188","0.1792","0.2188","","","1.034","","","1.034","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213296","23.0227","0.0008","7.1467","0.0004","14.5544","0.0004","90","","104.644","0.003","90","","2316.94","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/2,2'-bipyridyl complex","","- C42 H60 N8 O15 S2 -","- C42 H46 N8 O15 S2 -","- C84 H92 N16 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0398","0.037","","0.1036","0.1005","0.1036","","","1.095","","","1.095","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213297","23.4584","0.0006","7.1179","0.0002","14.8922","0.0005","90","","108.571","0.002","90","","2357.14","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/naphthalene complex","","- C42 H58 N6 O14.5 S2 -","- C42 H46 N6 O14.5 S2 -","- C84 H92 N12 O29 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0493","0.0435","","0.1389","0.1229","0.1389","","","1.149","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213298","23.3855","0.0005","7.1965","0.0003","14.7588","0.0004","90","","108.58","0.003","90","","2354.36","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/2-acetonaphthone complex","","- C44 H57 N6 O13.5 S2 -","- C44 H48 N6 O13.5 S2 -","- C88 H96 N12 O27 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0339","0.0329","","0.0914","0.0899","0.0914","","","1.029","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213299","7.0902","0.0007","21.273","0.003","31.004","0.004","90","","90","","90","","4676.3","1","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cefadroxil/2,7-dihydroxynaphthalene","","- C42 H56 N6 O19 S2 -","- C42 H42 N6 O19 S2 -","- C168 H168 N24 O76 S8 -","4","1","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1394","0.1085","","0.3064","0.2737","0.3064","","","1.092","","","1.092","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213300","7.1079","0.0018","21.863","0.005","32.306","0.004","90","","90","","90","","5020.4","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cefadroxil/2,6-dihydroxynaphthalene","","- C42 H60 N6 O21 S2 -","- C42 H42 N6 O21 S2 -","- C168 H168 N24 O84 S8 -","4","1","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1557","0.0771","","0.2369","0.1898","0.2369","","","1.046","","","1.046","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213314","7.5297","0.0003","22.131","0.003","9.9543","0.0006","90","","105.622","0.002","90","","1597.5","0.2","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quadricyclaue with carboxamide-TEMPO","","- C17 H25 N2 O2 -","- C17 H25 N2 O2 -","- C68 H100 N8 O8 -","4","1","","Nakatsuji, Shin’ichi; Ogawa, Yuya; Takeuchi, Soichi; Akutsu, Hiroki; Yamada, Jun-ichi; Naito, Akira; Sudo, Kyoko; Yasuoka, Noritake","Novel photo-responsive organic spin systems: preparation and properties of norbornadienes and spiropyrans with TEMPO radical substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1969","","10.1039/b001993n","","","0.7107","MoKα","","0.0889","0.0889","","","0.1641","0.1641","","","","","","1.826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213322","28.728","0.02","9.713","0.001","16.997","0.001","90","","105.95","0.02","90","","4560","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(N,N-Dimethylaminophenyl)dimesitylboran","","- C26 H32 B N -","- C26 H32 B N -","- C208 H256 B8 N8 -","8","1","","Albrecht, Karsten; Kaiser, Volker; Boese, Roland; Adams, Jörg; Kaufmann, Dieter E.","Synthesis and properties of fluorescent organoboranes: triarylmethane-type dyes","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2153","","10.1039/b002184i","","","0.71073","MOKα","","0.1844","0.0744","","0.2454","0.2004","","","","1.196","1.613","1.613","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213323","6.804","0.003","11.122","0.002","15.139","0.002","70.85","0.02","86.12","0.03","79.57","0.03","1064.3","0.6","295","","295","","","","","","","","laboratory synthesis, crystallized from hexane","4","P -1","-P 1","2","","anti-[2-(3-methoxythienyl)]di(1-adamantyl)methanol","","- C26 H36 O2 S -","- C26 H36 O2 S -","- C52 H72 O4 S2 -","2","1","","Lomas, John S.; Vauthier, Edouard; Vaissermann, Jacqueline","Trifluoroacetylation and ionic hydrogenation of [2-(3-alkoxythienyl)]di(1-adamantyl)methanols †","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1399","","10.1039/b002186p","","","0.71069","MoKα","","","0.0429","","","0.0525","","","","","1.0703","1.0703","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213328","13.806","0.003","14.761","0.003","9.618","0.0019","90","","92.77","0.03","90","","1957.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl2 F N O -","- C21 H20 Cl2 F N O -","- C84 H80 Cl8 F4 N4 O4 -","4","1","","Ooms, Frédéric; Delvosal, Sébastien; Wouters, Johan; Durant, François; Dockendolf, Gisella; Van’t Land, Clinton; Glass, Thomas; Castagnoli, Jr, Neal; Van der Schyf, Cornelis J.","Empirical and molecular modeling study of the pyridinium species RHPP+, an abundant and potentially neurotoxic metabolite of haloperidol","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1781","","10.1039/b002357o","","","1.54178","CuKα","","","0.0957","","","0.2537","","","","","","","0.971","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7213329","25.7135","0.0004","9.5232","0.0001","19.8894","0.0003","90","","105.57","","90","","4691.68","0.11","120","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,17-Bis((E)-(2-phenyl-1-ethenyl)-11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene","","- C56 H58 Br2 O4 -","- C56 H58 Br2 O4 -","- C224 H232 Br8 O16 -","4","0.5","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.0343","0.0277","","","0.0722","0.0749","","","","","","1.025","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213330","13.062","0.003","13.325","0.003","20.365","0.004","96.75","0.03","93.04","0.03","110.93","0.03","3270.4","1.4","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","11,23-bis((E)-(2-phenyl-1-ethenyl)- 25,26,27,28-tetrapropoxycalix[4]arene-5,17- dicarboxylic acid bis- 1,4-diaza[2,2,2]bicyclooctane salt","","- C72 H87 N5 O8 -","- C72 H87 N5 O8 -","- C144 H174 N10 O16 -","2","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.4304","0.1352","","","0.3159","0.4616","","","","","","0.906","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213331","10.754","0.002","12.014","0.002","21.851","0.004","100.97","0.03","96.83","0.03","110.11","0.03","2550","1.1","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","25,26,27,28-tetrapropoxy- calix[4]arene-5,17-dicarboxylic acid 1,4-diaza[2,2,2]bicyclooctane salt","","- C54 H69 N5 O8 -","- C54 H69 N5 O8 -","- C108 H138 N10 O16 -","2","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.2264","0.0796","","","0.1507","0.211","","","","","","0.963","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213332","24.817","0.005","25.026","0.005","17.854","0.004","90","","99.88","0.03","90","","10924","4","120","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid bis-benzylamine salt","","- C57 H66 Br2 Cl2 N2 O8 -","- C57 H66 Br2 Cl2 N2 O8 -","- C456 H528 Br16 Cl16 N16 O64 -","8","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.1613","0.0814","","","0.165","0.2043","","","","","","1.024","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213333","17.865","0.003","17.865","0.003","17.263","0.004","90","","90","","90","","5509.6","1.8","120","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid bis-diethylamine salt","","- C53 H73 Br2 Cl2 N3 O8 -","- C53.02 H73.02 Br2 Cl1.976 N3.012 O8 -","- C212.08 H292.08 Br8 Cl7.904 N12.048 O32 -","4","0.5","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.0507","0.0426","","","0.1276","0.135","","","","","","1.074","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213334","17.394","0.006","23.82","0.006","27.882","0.007","90","","90","","90","","11552","6","120","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid- bis-diethylamine salt","","- C51.5 H70.5 Br2 Cl N2.5 O8 -","- C51.4 H69.4 Br2 Cl1.2 N2.4 O8 -","- C411.2 H555.2 Br16 Cl9.6 N19.2 O64 -","8","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.3482","0.1662","","","0.3302","0.424","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213335","12.505","0.003","24.822","0.005","12.722","0.003","90","","94.8","0.03","90","","3935","1.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid","","- C42 H46 Br2 O8 -","- C42 H46 Br2 O8 -","- C168 H184 Br8 O32 -","4","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.0691","0.047","","","0.104","0.1157","","","","","","1.018","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213336","22.391","0.005","13.024","0.003","33.539","0.007","90","","97.64","0.03","90","","9694","4","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11,23-Bis((E)-(phenylazo)- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid","","- C54 H56 N4 O8 -","- C54 H56 N4 O8 -","- C432 H448 N32 O64 -","8","2","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.4386","0.1481","","","0.2584","0.3724","","","","","","1.064","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213337","7.9732","0.0007","10.1799","0.0012","15.57","0.002","90","","90","","90","","1263.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N O3 -","- C13 H16 N O3 -","- C52 H64 N4 O12 -","4","1","","Bottle, Steven E.; Gillies, Duncan G.; Hughes, David L.; Micallef, Aaron S.; Smirnov, Alex I.; Sutcliffe, Leslie H.","Synthesis, single crystal X-ray structure and W-band (95 GHz) EPR spectroscopy of a new anionic isoindoline aminoxyl: synthesis and characterisation of some derivatives","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1285","","10.1039/b002497j","","","0.71069","Mo-Kα","","0.037","0.0326","","0.0828","0.0791","","","","1.066","1.096","1.096","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213346","7.5078","0.0006","10.7748","0.0009","11.3584","0.0009","89.381","0.002","72.055","0.002","79.252","0.002","857.73","0.12","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","Nitrozonium hexafluorophosphate/p-nitrosoanisol/toluene molecular complex 1:1:1","","- C14 H15 F6 N2 O3 P -","- C14 H15 F6 N2 O3 P -","- C28 H30 F12 N4 O6 P2 -","2","1","","Lindeman, Sergey V.; Bosch, Eric; Kochi, Jay K.","Electrophilic aromatic nitrosation. Isolation and X-ray crystallography of the metastable NO+ complex with nitrosoarene","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1919","","10.1039/b002686g","","","0.71073","MoKα","","0.1354","0.0772","","0.1728","0.139","","","","1.11","1.205","1.205","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213350","17.527","0.002","15.29","0.002","6.912","0.001","90","","90","","90","","1852.3","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-PGd-CS","D-phenylglycine(1S)-(+)-camphor-10-sulfonate","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C72 H100 N4 O24 S4 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.0576","0.0545","","","0.1517","0.1551","","","","","","1.023","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213351","24.943","0.001","7.053","0.002","11.366","0.004","90","","103.39","0.03","90","","1945.2","0.9","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","L-PGd-CS","L-phenylglycine(1S)-(+)-camphor-10-sulfonate","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C72 H100 N4 O24 S4 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.0641","0.0603","","","0.151","0.1537","","","","","","1.001","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213352","7.261","0.001","22.781","0.002","5.438","0.001","90","","90","","90","","899.5","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-PGHCl","L-enylglycine hydrochloride","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.027","0.0266","","","0.1022","0.103","","","","","","0.989","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213358","15.9253","0.0004","15.9655","0.0004","17.882","0.0003","90","","90","","90","","4546.59","0.18","113","2","113","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Tetra-(4-chlorophenyl)ethene (3)","","- C26 H16 Cl4 -","- C26 H16 Cl4 -","- C208 H128 Cl32 -","8","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.141","0.046","","","0.089","0.11","","","","","","0.95","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213359","9.648","0.001","16.605","0.007","15.81","0.006","90","","97.61","0.02","90","","2510.5","1.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetra-(4-jodophenyl)ethene (5)","","- C26 H16 I4 -","- C26 H16 I4 -","- C104 H64 I16 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.053","0.038","","","0.097","0.103","","","","","","1.063","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213360","8.635","0.002","14.707","0.004","22.891","0.012","90","","90","","90","","2907","1.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetra-(4-chlorophenyl)ethene p-xylene inclusion compound (3.pXy)","","- C34 H26 Cl4 -","- C34 H26 Cl4 -","- C136 H104 Cl16 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.094","0.034","","","0.071","0.084","","","","","","1.037","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213361","9.3337","0.0002","15.1835","0.0003","21.9443","0.0005","90","","90","","90","","3109.91","0.12","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tetra-(4-bromophenyl)ethene THF inclusion compound (2.THF)","","- C34 H32 Br4 O2 -","- C34 H32 Br4 O2 -","- C136 H128 Br16 O8 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.093","0.052","","","0.082","0.093","","","","","","1.04","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213362","9.175","0.005","9.522","0.002","17.79","0.004","91.15","0.02","97.65","0.03","104.15","0.02","1491.4","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Tetra-(4-fluorophenyl)ethene xylene inclusion compound (4.pXy)","","- C38 H31 F4 -","- C38 H31 F4 -","- C76 H62 F8 -","2","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.091","0.041","","","0.104","0.122","","","","","","1.007","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213363","10.343","0.004","10.887","0.005","13.918","0.006","103.65","0.04","91.19","0.03","117.64","0.03","1333.6","1.1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","Tetra(4-hydroxyphenyl)ethene acetylacetate water inclusion compound (7.E-W)","","- C30 H30 O7 -","- C30 H30 O7 -","- C60 H60 O14 -","2","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.105","0.059","","","0.164","0.184","","","","","","1.058","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7213371","9.2428","0.0005","9.0959","0.0011","18.4539","0.0013","90","","103.634","0.001","90","","1507.7","0.2","123","2","123","2","","","","","","","chemical synthesis","2","C 1 2/c 1","-C 2yc","15","","2,2'-Biadamantane","","- C20 H30 -","- C20 H30 -","- C80 H120 -","4","0.5","","Rathore, Rajendra; Zhu, Chengjian; Lindeman, Sergey V.; Kochi, Jay K.","Spontaneous oxidation of organic donors to their cation radicals using Brønsted acids. Identification of the elusive oxidant †","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1837","","10.1039/b003860l","","","0.71073","MoKα","","0.0539","0.039","","0.1349","0.1039","","","","1.053","1.1","1.1","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213374","15.489","0.0003","7.7878","0.0001","15.793","0.0003","90","","101.341","0.001","90","","1867.84","0.06","293","2","293","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","2,2'-diphenyl-2,2'-bis(1,3-dithianyl)","","- C20 H22 S4 -","- C20 H22 S4 -","- C80 H88 S16 -","4","1","","Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping","Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2090","","10.1039/b003961f","","","0.71073","MoKα","","0.063","0.0484","","0.1153","0.1079","","","","1.045","1.089","1.089","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213375","6.0592","0.0003","6.9442","0.0004","17.666","0.001","90","","94.023","0.001","90","","741.49","0.07","296","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2,2'-diphenyl-2,2'-bis(1,3-dioxolanyl)","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","","Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping","Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2090","","10.1039/b003961f","","","0.71073","MoKα","","0.0526","0.0389","","0.1021","0.0956","","","","1.059","1.123","1.123","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213378","6.231","0.002","8.198","0.003","10.3","0.004","99.17","0.03","95.29","0.04","106.63","0.016","492.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C20 H16 N8 O4 -","2","1","","Gowenlock, Brian G.; Maidment, Mark J.; Orrell, Keith G.; Šik, Vladimir; Mele, Giuseppe; Vasapollo, Giuseppe; Hursthouse, Michael B.; Abdul Malik, K. M.","The solid- and solution-state structures of 2-nitrosopyridine and its 3- and 4-methyl derivatives","Journal of the Chemical Society, Perkin Transactions 2","2000","","11","2280","","10.1039/b004270f","","","0.71069","MoKα","","0.0781","0.0604","","0.126","0.1203","","","","0.775","0.947","0.947","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213385","16.318","0.001","10.782","0.001","10.295","0.001","90","","90","","90","","1811.3","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-nitrobenzenesulfonyl azide","","- C6 H4 N4 O4 S -","- C6 H4 N4 O4 S -","- C48 H32 N32 O32 S8 -","8","2","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.0579","0.0338","","","0.0845","0.0911","","","","","","0.919","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213386","7.083","0.001","7.309","0.001","10.28","0.001","97.73","0.01","108.7","0.01","100.06","0.01","485.88","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-acetylbenzenesulfonyl azide","","- C8 H7 N3 O3 S -","- C8 H7 N3 O3 S -","- C16 H14 N6 O6 S2 -","2","1","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.0565","0.0397","","","0.1102","0.1192","","","","","","1.001","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213387","5.174","0.001","10.727","0.001","16.762","0.001","90","0.01","94.22","0.01","90","0.01","927.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methoxybenzenesulfonyl azide","","- C7 H7 N3 O3 S -","- C7 H7 N3 O3 S -","- C28 H28 N12 O12 S4 -","4","1","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.0533","0.0398","","","0.122","0.1284","","","","","","1.056","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213388","7.908","0.001","14.572","0.001","8.238","0.001","90","","106.59","0.01","90","","909.79","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-nitrobenzenesulfonyl azide","","- C6 H4 N4 O4 S -","- C6 H4 N4 O4 S -","- C24 H16 N16 O16 S4 -","4","1","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.083","0.0354","","","0.0882","0.0967","","","","","","0.872","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213389","5.984","0.001","35.194","0.001","10.795","0.001","90","","92.29","0.01","90","","2271.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ferrocenesulfonyl azide","","- C10 H9 Fe N3 O2 S -","- C10 H9 Fe N3 O2 S -","- C80 H72 Fe8 N24 O16 S8 -","8","2","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.0678","0.0335","","","0.0881","0.0967","","","","","","1.037","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213391","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.","15N NMR and crystal structure studies of 5-(2-pyridylmethylene)pseudothiohydantoin;† dipolar dephasing experiments for establishing the preferred tautomer in the solid and solution states","Journal of the Chemical Society, Perkin Transactions 2","2000","","11","2265","","10.1039/b004368k","","","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",""
"7213396","12.638","0.004","14.765","0.003","10.037","0.002","94.23","0.02","100.79","0.02","108.72","0.02","1724.3","0.8","142.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 N2 O Se2 -","- C48 H30 N2 O Se2 -","- C96 H60 N4 O2 Se4 -","2","1","","Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru","Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1788","","10.1039/b004687f","","","0.7107","MoKα","","","0.062","","","","0.0711","","","","","","1.266","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213397","12.66","0.01","11.36","0.02","29.16","0.02","90","","95.51","0.1","90","","4174","9","234.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H31 Cl3 N2 S3 -","- C49 H31 Cl3 N2 S3 -","- C196 H124 Cl12 N8 S12 -","4","1","","Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru","Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1788","","10.1039/b004687f","","","0.7107","MoKα","","","0.0741","","","","0.1041","","","","","","2.572","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213398","20.8303","0.0009","18.8385","0.0009","28.3817","0.0009","90","0.01","152.539","0.001","90","0.01","5135.9","0.4","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Br N2 -","- C13 H18 Br N2 -","- C208 H288 Br16 N32 -","16","4","","Claramunt, Rosa María; López, Concepción; García, María de los Angeles; Pierrot, Marcel; Giorgi, Michel; Elguero, José","3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure †","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2049","","10.1039/b004690f","","","0.71073","MoKα","","0.0906","0.059","","0.066","0.056","0.056","","","1.507","1.654","1.654","1.654","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213402","8.982","0.003","12.471","0.003","9.086","0.003","90","","92.91","0.03","90","","1016.5","0.5","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O8 -","- C20 H20 N2 O8 -","- C40 H40 N4 O16 -","2","0.5","","Kujanpää, Jukka P.; Riddell, Frank G.","Models for molecular motions within polymer chains. Part 1. A solid-state NMR study of hexane-1,6-diyl bis( p-nitrobenzoate)","Journal of the Chemical Society, Perkin Transactions 2","2000","","11","2225","","10.1039/b005005i","","","0.7107","MoKalpha","","","0.0472","","","0.0368","","","","","3.055","3.055","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213414","10.074","0.001","8.357","0.0009","13.991","0.002","90","","108.46","0.01","90","","1117.3","0.2","293","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 O5 P S -","- C6 H15 O5 P S -","- C24 H60 O20 P4 S4 -","4","1","","Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe","Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1","Journal of the Chemical Society, Perkin Transactions 2","2001","","1","97","","10.1039/b005501h","","","0.71073","MoKα","","0.0699","0.0453","","","0.1197","0.1349","","","","","","1.048","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213415","23.443","0.004","7.0872","0.0012","14.896","0.006","90","","108.61","0.02","90","","2345.5","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/8-hydroxy quinoline complex","","- C41 H58 N7 O15.5 S2 -","- C41 H45 N7 O15.5 S2 -","- C82 H90 N14 O31 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Efficiency of cephalosporin complexation with aromatic compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","633","","10.1039/b005503o","","","0.71073","MoKα","","0.0768","0.0542","","0.1511","0.1373","0.1511","","","1.077","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213420","13.7018","0.0003","14.3753","0.0003","14.4362","0.0003","108.261","0.002","107.53","0.002","103.187","0.002","2406.02","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C120 H96 O24 -","4","2","","Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.","Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2458","","10.1039/b005702i","","","0.71073","MoKα","","0.1145","0.0471","","","0.0914","0.1098","","","","","","1.015","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213421","10.3402","0.0009","10.4427","0.0009","13.4887","0.0011","87.854","0.006","80.536","0.005","64.23","0.005","1292.8","0.2","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 N3 O9 -","- C30 H18 N3 O9 -","- C60 H36 N6 O18 -","2","1","","Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.","Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2458","","10.1039/b005702i","","","0.71073","MoKα","","0.1486","0.084","","","0.2201","0.2702","","","","","","1.018","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213422","8.8361","0.0002","10.4985","0.0002","15.1193","0.0003","80.305","0.001","85.321","0.001","80.857","0.001","1362.79","0.05","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O10 -","- C30 H15 N3 O10 -","- C60 H30 N6 O20 -","2","1","","Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.","Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2458","","10.1039/b005702i","","","0.71073","MoKα","","0.1224","0.0622","","","0.145","0.1838","","","","","","1.065","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213423","9.7537","0.0002","10.5838","0.0002","14.6243","0.0002","82.543","0.001","81.724","0.001","71.179","0.001","1408.47","0.04","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H19.5 N4.5 O12 -","- C28.5 H19.5 N4.5 O12 -","- C57 H39 N9 O24 -","2","1","","Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.","Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2458","","10.1039/b005702i","","","0.71073","MoKα","","0.1005","0.0546","","","0.1278","0.154","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213424","13.352","0.0002","12.0843","0.0002","15.0708","0.0002","90","","95.994","0.001","90","","2418.37","0.06","218","2","218","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N3 O9 -","- C27 H15 N3 O9 -","- C108 H60 N12 O36 -","4","1","","Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.","Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2458","","10.1039/b005702i","","","0.71073","MoKα","","0.0541","0.04","","","0.0975","0.1054","","","","","","1.035","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213428","7.984","0.001","21.589","0.004","8.731","0.001","90","","90.35","0.01","90","","1504.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-4,6-Bis(2-hydroxyphenyl)-1,3,5-Triazine","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Fischer, Peter; Fettig, Achim; Frey, Wolfgang U.; Henkel, Sonja; Hoier, Helga; Kramer, Horst E. A.; Roessler, Manfred; Birbaum, Jean-Luc","A coupled dual hydrogen bridge system—solution dynamics and crystal structure of 2-dimethylamino-4,6-bis(2-hydroxyphenyl)-1,3,5-triazine †","Journal of the Chemical Society, Perkin Transactions 2","2001","","1","90","","10.1039/b005956k","","","0.71073","MoKα","","0.1053","0.0816","","0.2813","0.2326","","","","1.076","1.137","1.137","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213433","21.2325","0.0006","12.0459","0.0005","18.7578","0.0008","90","","91.173","0.002","90","","4796.6","0.3","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","[C60F17(CF3)].2(toluene)]","","","- C75 H16 F20 -","- C74.09 H9.35 Cl0.26 F20 -","- C296.36 H37.4 Cl1.04 F80 -","4","1","","Boltalina, Olga V.; Hitchcock, Peter B.; Troshin, Pavel A.; Street, Joan M.; Taylor, Roger","Isolation and spectroscopic characterisation of C60F17CF2CF3 and isomers of C60F17CF3; insertion of :CF2 into fluorofullerene C‒F bonds","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2410","","10.1039/b006890j","","x-ray","0.71073","MoKα","","0.1034","0.0661","","","0.1591","0.1829","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213441","10.291","0.002","11.607","0.003","12.988","0.003","90","","105.42","","90","","1495.5","0.6","103","2","103","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(8'-Methoxynaphthyl-1'-methylidene)-1,3-dioxan-4,6-dione","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","O’Leary, Jane; Bell, Paul C.; Wallis, John D.; Schweizer, W. Bernd","Attractive and repulsive effects in the interactions between electron-rich and electron-deficient groups in peri-substituted naphthalenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","133","","10.1039/b008226k","","","1.5418","CuKα","","0.0274","0.0263","","","0.078","0.0806","","","","","","0.819","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213442","6.5046","0.0003","17.5411","0.0007","10.3306","0.0003","90","","99.499","0.002","90","","1162.54","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-dicyano-2-(8'-methoxynaphth-1'-yl)ethene","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","O’Leary, Jane; Bell, Paul C.; Wallis, John D.; Schweizer, W. Bernd","Attractive and repulsive effects in the interactions between electron-rich and electron-deficient groups in peri-substituted naphthalenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","133","","10.1039/b008226k","","","0.71069","MoKα","","0.0606","0.044","","0.1248","0.1135","","","","1.058","1.114","1.114","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213445","5.8214","0.0008","10.7769","0.0019","17.258","0.003","76.083","0.014","82.12","0.012","89.6","0.013","1040.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(t-butylbenzo)-24-crown-8","","","- C48 H64 O8 -","- C48 H64 O8 -","- C48 H64 O8 -","1","0.5","","Levitskaia, Tatiana G.; Sachleben, Richard A.; Bryan, Jeffrey C.; Moyer, Bruce A.","Synthesis, structure, and extraction behavior of 4,5′,4″,5‴-tetra-tert-butyltetrabenzo-24-crown-8 †‡","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","808","","10.1039/b008603g","","","0.71073","MoKα","","0.068","0.047","","","0.126","0.137","","","","","","1.03","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213450","14.053","0.003","13.639","0.004","15.49","0.003","90","","94","0.02","90","","2961.7","1.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C144 H168 O8 -","4","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","1.54178","CuKα","","0.1401","0.0474","","","0.1228","0.1676","","","","","","1.025","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213451","10.547","0.002","11.975","0.002","9.011","0.003","111.51","0.02","92.85","0.02","88.69","0.02","1057.5","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C56 H52 O4 -","2","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","1.54178","CuKα","","0.12","0.0759","","","0.2216","0.2586","","","","","","1.005","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213452","15.426","0.011","12.426","0.01","15.224","0.01","90","","108.59","0.06","90","","2766","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 O -","- C17 H19 O -","- C136 H152 O8 -","8","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","0.71069","MoKα","","0.1403","0.0522","","","0.1235","0.1627","","","","","","0.985","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213453","7.0658","0.0001","8.643","0.0001","14.8612","0.0003","90","","101.874","0.001","90","","888.15","0.02","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylbenzene Chloranil Molecular Complex","","- C18 H18 Cl4 O2 -","- C18 H18 Cl4 O2 -","- C36 H36 Cl8 O4 -","2","0.5","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0529","0.0368","","0.1039","0.0883","","","","1.039","1.055","1.055","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213454","16.137","0.002","7.232","0.001","17.68","0.002","90","","95.526","0.003","90","","2053.7","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Octamethylbiphenylene/Tetracyanoethylene molecular complex 1:1","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0736","0.0426","","0.1234","0.1019","","","","0.917","1.07","1.07","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213455","15.1081","0.0008","9.6152","0.0006","17.0229","0.0008","90","","95.98","0.002","90","","2459.4","0.2","93","2","93","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","Octamethylbiphenylene/7,7,8,8-Tetracyanoquinodimethane molecular complex 1:1","","- C32 H28 N4 -","- C32 H28 N4 -","- C128 H112 N16 -","4","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0839","0.0455","","0.1329","0.1109","","","","0.932","1.053","1.053","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213456","12.4774","0.0001","12.663","0.0001","14.3832","0.0002","74.421","0.001","77.326","0.001","86.717","0.001","2135.73","0.04","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene(0)/Octamethylbiphenylene(+1) hexachloroantimonate molecular complex, toluene monosolvate","","- C47 H56 Cl6 Sb -","- C47 H56 Cl6 Sb -","- C94 H112 Cl12 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.154","0.0724","","0.197","0.1561","","","","0.971","1.103","1.103","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213457","8.6059","0.0001","11.739","0.0002","13.2313","0.0001","115.116","0.001","100.611","0.001","95.783","0.001","1165.32","0.03","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene hexachloroantimonate","","- C20 H24 Cl6 Sb -","- C20 H24 Cl6 Sb -","- C40 H48 Cl12 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0876","0.0506","","0.0894","0.0753","","","","1.125","1.128","1.128","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213458","9.6343","0.0002","10.6007","0.0002","13.8761","0.0002","81.964","0.001","70.035","0.001","80.276","0.001","1307.69","0.04","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene hexachloroantimonate, dichloromethane monosolvate","","- C21 H26 Cl8 Sb -","- C21 H26 Cl8 Sb -","- C42 H52 Cl16 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0661","0.0369","","0.0792","0.0671","","","","0.987","1.028","1.028","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213466","7.892","0.002","15.17","0.02","12.017","0.004","90","","99.496","0.008","90","","1419","2","123.2","","123.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N S2 -","- C16 H17 N S2 -","- C64 H68 N4 S8 -","4","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213467","25.166","0.008","25.166","0.008","9.246","0.007","90","","90","","90","","5856","5","93.2","","93.2","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H18 N2 S2 -","- C16 H18 N2 S2 -","- C256 H288 N32 S32 -","16","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213468","13.201","0.002","12.276","0.002","19.352","0.001","90","","107.004","0.008","90","","2999","0.7","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213469","14.345","0.006","20.103","0.006","10.291","0.008","90","","90","","90","","2968","3","113.2","","113.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213470","5.387","0.001","7.948","0.002","18.06","0.004","90","","93.36","0.03","90","","771.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N2 O5 P -","- C5 H7 N2 O5 P -","- C20 H28 N8 O20 P4 -","4","1","","Cristóbal F. Moreno-Luque; Eva Freisinger; Burkhard Costisella; Rolf Griesser; Justyn Ochocki; Bernhard Lippert; Helmut Sigel","Comparison of the acid‒base properties of 5- and 6-uracilmethylphosphonate (5Umpa^2-^ and 6Umpa^2-^) and some related compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","2005","2011","10.1039/b101078f","","","0.71069","MoKα","","0.066","0.036","","0.0951","0.0801","","","","0.925","1.057","1.057","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213473","7.2501","0.0015","16.807","0.003","23.309","0.005","90","","90","","90","","2840.3","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 B Fe N O2 -","- C14 H20 B Fe N O2 -","- C112 H160 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1659","0.0664","","0.1143","0.0921","","","","0.93","1.059","1.059","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213474","9.866","0.002","13.168","0.003","11.968","0.002","90","","92.55","0.03","90","","1553.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H38 B Fe N O2 -","- C40 H38 B Fe N O2 -","- C80 H76 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0356","0.031","","0.0728","0.0707","","","","1.036","1.048","1.048","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213475","12.452","0.003","12.858","0.003","17.078","0.003","90","","104.77","0.03","90","","2644","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B Fe N O2 -","- C13 H18 B Fe N O2 -","- C104 H144 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0283","0.0231","","0.0653","0.0631","","","","1.051","1.093","1.093","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213476","21.431","0.004","6.1956","0.0012","20.414","0.004","90","","90","","90","","2710.5","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H18 B Fe N O2 -","- C13 H18 B Fe N O2 -","- C104 H144 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1632","0.0788","","0.1533","0.1223","","","","1.052","1.133","1.133","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213477","7.3162","0.0015","11.887","0.002","12.622","0.003","90","","104.73","0.03","90","","1061.6","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H32 B Fe N O2 -","- C23 H32 B Fe N O2 -","- C46 H64 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0503","0.0447","","0.1111","0.1077","","","","1.037","1.055","1.055","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213495","12.402","0.008","9.568","0.004","13.15","0.006","90","","124.59","0.06","90","","1284.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O S -","- C10 H20 N2 O S -","- C40 H80 N8 O4 S4 -","4","1","","Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria D. M. C.; da Silva, Luís C. M.; Dietze, Frank; Hoyer, Eberhard; Beyer, Lothar; Schröder, Bernd; Damas, Ana M.; Liebman, Joel F.","Synthesis, characterization and thermochemical properties of N-acyl-N′,N′-diethylthioureas","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2174","","10.1039/b104709b","","","0.71069","MoKα","","0.0587","0.046","","0.138","0.1229","","","","1.067","1.064","1.064","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213503","9.466","0.002","11.727","0.002","17.473","0.003","86.51","0.03","76.31","0.03","67.13","0.03","1735.3","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-3-(2-isopropylphenyl)-5,5-bis(methylthio)penta-2,4-dienenitrile","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C68 H72 N8 S8 -","4","2","","Manfred Michalik; Thomas Freier; Helmut Reinkeb; Klaus Peseke","NMR studies on the axial chirality of ortho-substituted push‒pull phenyl butadienesSpectroscopic investigations on butadiene derivatives, Part 10. For Part 9, see ref. 1.","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","114","119","10.1039/b107402b","","","0.71073","MoKα","","0.0411","0.036","","","0.0944","0.099","","","","","","1.024","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213504","8.842","0.001","11.368","0.001","17.832","0.003","90","","96.24","0.01","90","","1781.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyano-5-dimethylamino-3-(2-isopropylphenyl)-5-methylthiopenta-2,4-dienenitrile","","- C18 H21 N3 S -","- C18 H21 N3 S -","- C72 H84 N12 S4 -","4","1","","Manfred Michalik; Thomas Freier; Helmut Reinkeb; Klaus Peseke","NMR studies on the axial chirality of ortho-substituted push‒pull phenyl butadienesSpectroscopic investigations on butadiene derivatives, Part 10. For Part 9, see ref. 1.","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","114","119","10.1039/b107402b","","","0.71073","MoKα","","0.0518","0.0445","","","0.1189","0.1257","","","","","","1.062","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213505","8.154","0.001","12.041","0.001","12.445","0.001","104.28","0.01","102.5","0.01","106.54","0.01","1079.7","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-(2-isopropylphenyl)-5,5-bis(pyrrolidino)penta-2,4-dienenitrile","","- C23 H28 N4 -","- C23 H28 N4 -","- C46 H56 N8 -","2","1","","Manfred Michalik; Thomas Freier; Helmut Reinkeb; Klaus Peseke","NMR studies on the axial chirality of ortho-substituted push‒pull phenyl butadienesSpectroscopic investigations on butadiene derivatives, Part 10. For Part 9, see ref. 1.","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","114","119","10.1039/b107402b","","","0.71073","MoKα","","0.0829","0.0552","","","0.1347","0.1561","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213507","5.9","0.002","10.151","0.003","12.088","0.003","90","","100.64","0.03","90","","711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","H-L-(αMe)Hyv-L-Val-OMe","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C24 H46 N2 O8 -","2","1","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.0436","0.0429","","","0.1149","0.1158","","","","","","1.094","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213508","11.287","0.003","17.451","0.004","13.315","0.003","90","","105.59","0.08","90","","2526.2","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ac-L-(αMe)Hyv-L-Val-OMe","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C84 H150 N6 O30 -","6","3","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.0676","0.0641","","","0.1711","0.176","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213509","8.281","0.002","9.539","0.003","10.417","0.003","99.18","0.05","96.34","0.04","109.03","0.05","756.2","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Ac-L-(αMe)Hyv-(Aib)4-OMe","","","- C25 H44 N4 O8 -","- C25 H44 N4 O8 -","- C25 H44 N4 O8 -","1","1","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.1029","0.0807","","","0.2074","0.2265","","","","","","0.985","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213510","18.687","0.004","8.326","0.002","19.443","0.004","90","","105.99","0.07","90","","2908.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ac-(Aib)5-OMe","","","- C23 H41 N5 O7 -","- C23 H41 N5 O7 -","- C92 H164 N20 O28 -","4","1","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.2048","0.0829","","","0.1954","0.2373","","","","","","0.85","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213522","5.392","0.0005","9.303","0.0005","10.441","0.001","99.628","0.006","94.446","0.008","104.09","0.006","496.98","0.07","297","2","507","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C18 H24 N4 O8 -","2","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71069","MoKα","","0.1006","0.0387","","","0.0961","0.119","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213523","5.365","0.006","20.595","0.008","10.74","0.01","90","","97.69","0.05","90","","1176","1.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71069","MoKα","","0.089","0.0779","","","0.2329","0.2449","","","","","","1.076","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213524","16.913","0.005","6.379","0.002","19.75","0.006","90","","90.46","0.02","90","","2130.7","1.1","297","2","297","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71073","MoKα","","0.0898","0.0472","","","0.1191","0.1402","","","","","","1.019","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213525","5.9086","0.0006","18.381","0.001","10.46","0.001","90","","104.46","0.01","90","","1100.03","0.17","296","2","297","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O4 S -","- C9 H13 N O4 S -","- C36 H52 N4 O16 S4 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.0508","0.0353","","","0.0994","0.1088","","","","","","1.104","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213526","13.85","0.004","5.4148","0.0005","18.675","0.007","90","","91.85","0.02","90","","1399.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71073","MoKα","","0.049","0.0373","","","0.1","0.1081","","","","","","1.053","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213527","10.8985","0.0009","8.451","0.001","19.677","0.002","90","","97.63","0.01","90","","1796.3","0.3","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C72 H92 N4 O16 S4 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.0949","0.0522","","","0.1366","0.1624","","","","","","1.042","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213528","6.2148","0.0006","9.546","0.0006","12.059","0.001","96.94","0.006","99.553","0.008","105.438","0.007","669.72","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C28 H30 N2 O10 -","2","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71073","MoKα","","0.1058","0.0477","","","0.1265","0.1542","","","","","","1.029","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213529","12.328","0.002","9.1873","0.0009","13.049","0.003","90","","110.21","0.02","90","","1387","0.5","297","2","297","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.1769","0.0492","","","0.1162","0.1642","","","","","","0.967","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213530","11.98","0.001","11.6629","0.0006","13.788","0.001","90","","102.382","0.009","90","","1881.7","0.2","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.0859","0.0511","","","0.1428","0.1635","","","","","","1.035","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213531","8.443","0.005","8.935","0.005","10.454","0.005","90","0.005","97.78","0.005","90","0.005","781.4","0.7","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C30 H40 N4 O10 -","2","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71069","MoKα","","0.0657","0.0499","","","0.1259","0.1382","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213532","29.65","0.01","12.656","0.001","12.512","0.005","90","","109.44","0.02","90","","4427","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C176 H256 N16 O40 -","8","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71073","MoKα","","0.1427","0.0812","","","0.2446","0.2972","","","","","","1.051","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213533","9.2822","0.0005","16.716","0.002","11.704","0.002","90","","90","","90","","1816","0.4","297","2","297","2","","","","","","","synthesis as described","4","C m c 21","C 2c -2","36","","","","- C15 H28 N2 O5 -","- C15 H31 N2 O5 -","- C60 H124 N8 O20 -","4","0.5","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.0377","0.0308","","","0.0825","0.0873","","","","","","1.054","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213545","20.741","","8.072","","14.216","","90","","102.78","","90","","2321.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","thalidomide","rac-2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C104 H80 N16 O32 -","8","1","","Reepmeyer, J. C.; Rhodes, M. O.; Cox, D. C.; Silverton, J. V.","Characterization and crystal structure of two polymorphic forms of racemic thalidomide","Journal of the Chemical Society, Perkin Transactions 2","1994","","9","2063","2067","10.1039/P29940002063","","","","","","","0.057","","","0.057","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7216616","12.528","0.001","7.897","0.001","12.892","0.001","90","","103.19","0.01","90","","1241.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","","Oelgemöller, Michael; Haeuseler, Andreas; Schmittel, Michael; Griesbeck, Axel G.; Lex, Johann; Inoue, Yoshihisa","Hydrogen bonding in phthalimido carboxylic acids: cyclic voltammetric study and correlation with photochemical reactivity. Part 2.1 Aliphatic and aromatic acidsElectronic supplementary information (ESI) available: X-ray crystallographic data and cyclic voltammograms. See http://www.rsc.org/suppdata/p2/b1/b105860f/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","676","","10.1039/b105860f","","","0.71069","MoKα","","0.057","0.0369","","","0.092","0.1003","","","","","","1.002","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216923","18.582","0.005","10.594","0.004","22.431","0.008","90","","90","","90","","4416","3","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C208 H192 O48 -","8","1","","Utley, James H. P.; Ramesh, Shalini; Salvatella, Xavier; Szunerits, Sabine; Motevalli, Majid; Nielsen, Merete F.","Electro-organic reactions. Part 54. Quinodimethane chemistry. Part 2. Electrogeneration and reactivity of o-quinodimethanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","153","","10.1039/b007476o","","","0.71073","MoKα","","0.3221","0.0656","","","0.0515","0.0722","","","","","","0.637","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216924","21.401","0.017","13.436","0.01","22.04","0.018","90","","95.396","0.016","90","","6309","9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H86 N2 O7 -","- C65 H82 N2 O7 -","- C260 H328 N8 O28 -","4","1","","Zeng, Xianshun; Weng, Linhong; Chen, Langxing; Leng, Xuebing; Ju, Hongfang; He, Xiwen; Zhang, Zheng-Zhi","The synthesis of some pyridyl functionalized calix[4]arenes as the sensor molecule for silver ion-selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","545","","10.1039/b008114k","","","0.71073","MoKα","","0.2765","0.0834","","","0.187","0.2755","","","","","","0.895","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216925","12.13","0.011","8.81","0.007","14.747","0.012","90","","101.76","0.07","90","","1543","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 I N O -","- C14 H26 I N O -","- C56 H104 I4 N4 O4 -","4","1","","Kirby, Anthony J.; Komarov, Igor V.; Feeder, Neil","Synthesis, structure and reactions of the most twisted amide","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","522","","10.1039/b008270h","","","0.71069","MoKα","","0.0982","0.0872","","0.1572","0.1473","","","","1.293","1.312","1.312","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216926","12.527","0.008","14.498","0.004","7.796","0.002","90.05","0.02","90.45","0.04","86.77","0.04","1413.6","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 Cl N O2 -","- C13 H24 Cl N O2 -","- C52 H96 Cl4 N4 O8 -","4","2","","Kirby, Anthony J.; Komarov, Igor V.; Feeder, Neil","Synthesis, structure and reactions of the most twisted amide","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","522","","10.1039/b008270h","","","0.71069","MoKα","","0.2124","0.0759","","0.2531","0.1663","","","","1.073","1.209","1.209","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216927","5.6162","0.0004","13.3544","0.001","18.6704","0.0014","90","","95.74","","90","","1393.28","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Rashidi-Ranjbar, Parviz; Taghvaei-Ganjali, Saeed; Wang, Sue-Lein; Liao, Fen-Ling; Heydari, Ali","The conformational diastereomers of 5-substituted-5H-6-chlorodibenzo[a,c]cycloheptene","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1255","","10.1039/b004919k","","","0.71073","MoKα","","0.1344","0.0663","","","0.1206","0.148","","","","","","1.039","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216928","14.101","0.005","23.237","0.005","8.945","0.003","90","","90","","90","","2931","1.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C140 H152 N8 O8 -","4","1","","Foxon, Simon P.; Lindsay Smith, John R.; O’Brien, Peter; Reginato, Gloriana","The synthesis and spectroscopic characterisation of chiral meso-tetraarylmetalloporphyrins bearing meso-pentafluorophenyl groups","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1145","","10.1039/b100478f","","","0.71069","MoKα","","0.2722","0.0545","","","0.0953","0.153","","","","","","0.961","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216929","10.076","0.002","13.318","0.003","10.721","0.002","90","0","117.39","0","90","0","1277.4","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Damiani, Elisabetta; Greci, Lucedio; Rizzoli, Corrado","Reaction of indolinonic aminoxyls with nitric oxide","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1139","","10.1039/b100508l","","","1.54178","CuKα","","0.0914","0.0712","","0.2889","0.2157","","","","1.287","1.163","1.163","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216930","9.871","0.002","13.901","0.003","10.714","0.002","90","0","115.3","0","90","0","1329.1","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Damiani, Elisabetta; Greci, Lucedio; Rizzoli, Corrado","Reaction of indolinonic aminoxyls with nitric oxide","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1139","","10.1039/b100508l","","","1.54178","CuKα","","0.1357","0.0873","","0.3004","0.2311","","","","0.98","1.106","1.106","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216931","11.281","0.003","17.888","0.003","23.95","0.003","90","0.03","90","0.03","90","0.03","4833","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25.5 O4 -","- C29 H25.5 O4 -","- C232 H204 O32 -","8","2","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.1115","0.0638","","0.1907","0.1612","","","","1.048","1.16","1.16","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216932","9.054","0.003","10.761","0.003","18.539","0.003","90","0.03","90","0.03","90","0.03","1806.3","0.8","133","2","133","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.0621","0.0494","","0.1376","0.1241","","","","1.034","1.064","1.064","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216933","11.338","0.003","12.733","0.003","14.245","0.003","90","0.03","94.45","0.03","90","0.03","2050.3","0.8","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N O2 -","- C27 H18 N O2 -","- C108 H72 N4 O8 -","4","1","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.0457","0.0414","","0.1097","0.1066","","","","1.198","1.223","1.223","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216934","12.802","0.007","10.93","0.002","21.704","0.006","90","","90.39","0.03","90","","3036.9","1.9","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77.5 H66 N O8.5 -","- C77.5 H66 N O8.5 -","- C155 H132 N2 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.7114","MoKα","","0.1361","0.0832","","0.2983","0.2377","","","","1.028","1.059","1.059","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216935","12.815","0.003","10.963","0.003","21.673","0.004","90","","90.14","0.02","90","","3044.8","1.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77.5 H66 N O8.5 -","- C77.5 H66 N O8.5 -","- C155 H132 N2 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.71073","MoKα","","0.2204","0.1124","","0.3999","0.3045","","","","1.071","1.241","1.241","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216936","12.804","0.001","10.892","0.006","21.865","","90","0.03","90.47","","90","","3049.2","1.7","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H66 O8.5 -","- C78.5 H66 O8.5 -","- C157 H132 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.7114","MoKα","","0.1123","0.0859","","0.285","0.2505","","","","1.042","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216937","9.475","0.002","13.591","0.002","26.899","0.004","90","","100","0.01","90","","3411.3","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H80 O12 S4 -","- C78 H80 O12 S4 -","- C156 H160 O24 S8 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.54178","CuKα","","0.1911","0.126","","0.3996","0.3329","","","","1.023","1.18","1.18","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216938","15.6139","0.0006","16.7784","0.0008","29.5847","0.0011","90","","91.689","0.002","90","","7747.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H44 O10 S4 -","- C40 H44 O10 S4 -","- C320 H352 O80 S32 -","8","2","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.0897","0.0572","","","0.1249","0.1442","","","","","","1.015","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216939","14.798","0.002","14.798","0.002","40.113","0.008","90","","90","","90","","8784","2","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H52 O12 S4 -","- C44 H52 O12 S4 -","- C352 H416 O96 S32 -","8","1","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.2036","0.092","","","0.1786","0.2326","","","","","","0.958","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216940","11.858","0.002","7.7841","0.0011","13.366","0.0011","90","0.009","97.595","0.011","90","0.013","1222.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Heaney, Frances; Rooney, Oliver; Cunningham, Desmond; McArdle, Patrick","Simultaneous double 1,3-dipolar cycloaddition reactions involving bisnitrones or bisdipolarophiles. 1H NMR investigation of the conformational preferences of N-methyl- and N-phenyl-isoxazolidines","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","373","","10.1039/b007164l","","","0.71069","MoKα","","0.0845","0.053","","","0.1283","0.1411","","","","","","1.051","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216941","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; Rooney, Oliver; Cunningham, Desmond; McArdle, Patrick","Simultaneous double 1,3-dipolar cycloaddition reactions involving bisnitrones or bisdipolarophiles. 1H NMR investigation of the conformational preferences of N-methyl- and N-phenyl-isoxazolidines","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","373","","10.1039/b007164l","","","0.71069","MoKα","","0.1506","0.0836","","","0.219","0.2502","","","","","","0.957","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216942","12.997","0.003","15.552","0.002","15.809","0.003","90","","90","","90","","3195.5","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H22 F6 O P3 -","- C11 H22 F6 O P3 -","- C88 H176 F48 O8 P24 -","8","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.1158","0.0524","","","0.1261","0.1382","","","","","","0.783","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216943","12.1709","0.0012","21.173","0.003","8.651","0.0007","90","","90","","90","","2229.3","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H31 F3 O3 P2 S -","- C20 H31 F3 O3 P2 S -","- C80 H124 F12 O12 P8 S4 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0326","0.0303","","","0.0843","0.0855","","","","","","1.045","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216944","9.0947","0.0003","18.9759","0.0007","12.0451","0.0005","90","","91.296","0.001","90","","2078.21","0.13","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H29 F6 P3 -","- C18 H29 F6 P3 -","- C72 H116 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0339","0.0327","","0.0865","0.0851","","","","1.054","1.05","1.05","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216945","7.8764","0.0009","13.8784","0.0018","15.138","0.0017","90","","90","","90","","1654.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 P3 -","- C12 H25 F6 P3 -","- C48 H100 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David; Oliva, Josep M.","Superbasic bridgehead diphosphines: the effects of strain and intrabridgehead P · · · P bonding on phosphine basicity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","282","","10.1039/b008903f","","","0.71073","MoKα","","0.0259","0.0254","","","0.0669","0.0676","","","","","","1.053","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216946","10.812","0.002","19.228","0.004","19.324","0.003","90","","101.98","0.01","90","","3929.8","1.3","223.2","","223.2","","","","","","","","Synthesis by Inai, et al.","4","P 1 21/n 1","-P 2yn","14","Boc-(Aib-δ^Z^Phe)~2~-Aib-OMe","","","- C38 H53 N5 O9 -","- C38 H51 N5 O9 -","- C152 H204 N20 O36 -","4","1","","Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru","Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","892","","10.1039/b100774m","","","1.5418","CuK\a","","0.1483","0.0731","","0.2317","","","","","1.335","","","","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7216947","19.099","0.003","19.789","0.002","11.98","0.002","90","","90","","90","","4527.8","1.1","296.2","","296.2","","","","","","","","Synthesis by Inai, et al.","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Pro-(Aib-δ^Z^Phe)~2~-Aib-OMe","","","- C41 H54 N6 O9 -","- C41 H47 N6 O9 -","- C164 H188 N24 O36 -","4","1","","Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru","Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment†","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","892","","10.1039/b100774m","","","1.5418","CuKα","","0.1934","0.1177","","0.3287","","","","","1.973","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216948","11.023","0.001","16.872","0.001","16.682","0.001","90","","107.57","0.01","90","","2957.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Cl6 N2 O4 -","- C30 H20 Cl6 N2 O4 -","- C120 H80 Cl24 N8 O16 -","4","1","","Singh, Nakshatra B.; Srivastava, Archana; Fröhlich, Roland","Single crystal formation by solid state reaction between 8-hydroxyquinoline and 2,4,5-trichlorophenol","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","838","","10.1039/b001412p","","","0.71073","MoKα","","0.0688","0.0414","","","0.091","0.1039","","","","","","1.021","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216949","13.96","0.005","5.954","0.002","14.181","0.005","90","","104.42","0.04","90","","1141.6","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","PYRROLIZIN-3-ONE","","- C7 H5 N O -","- C7 H5 N O -","- C56 H40 N8 O8 -","8","1","","Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.","Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2195","","10.1039/b102475m","","","0.71073","MoKa","","0.0669","0.0531","","0.1676","0.1408","","","","1.037","1.042","1.042","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216950","6.629","0.005","12.996","0.009","7.373","0.005","90","","109.78","0.05","90","","597.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O -","- C7 H7 N O -","- C28 H28 N4 O4 -","4","1","","Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.","Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2195","","10.1039/b102475m","","","0.71073","MoKα","","0.0415","0.034","","0.0937","0.0874","","","","1.089","1.123","1.123","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216951","12.792","0.003","8.8111","0.0017","31.303","0.006","90","","90","","90","","3528.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.145","0.0785","","","0.1802","0.2535","","","","","","0.954","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216952","7.3964","0.0006","10.3444","0.0009","34.536","0.003","90","","90","","90","","2642.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C96 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.0444","0.0313","","","0.077","0.0819","","","","","","0.996","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216953","21.959","0.002","13.723","0.001","17.149","0.001","90","","108.216","0.004","90","","4908.8","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H26 O2.5 -","- C32 H24 O2.5 -","- C256 H192 O20 -","8","2","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1567","0.1059","","","0.2804","0.3481","","","","","","1.043","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7216954","8.3054","0.0002","15.3908","0.0004","11.452","0.0003","90","","94.892","0.001","90","","1458.54","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O4 -","- C38 H30 O4 -","- C76 H60 O8 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1043","0.0587","","","0.1437","0.1679","","","","","","1.045","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216955","8.2907","0.0004","16.0716","0.0009","11.4225","0.0004","90","","93.061","0.003","90","","1519.82","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O4 -","- C38 H30 O4 -","- C76 H60 O8 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1137","0.0887","","","0.2466","0.2722","","","","","","1.033","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216956","8.2043","0.0002","16.0186","0.0005","11.4831","0.0003","90","","94.521","0.002","90","","1504.43","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 O2 S2.53 -","- C36 H28 O2 S2 -","- C72 H56 O4 S4 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.0932","0.0733","","","0.2118","0.2286","","","","","","1.026","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216957","15.169","0.004","12.719","0.007","17.684","0.003","90","","114.97","0.01","90","","3093","2","103.2","","103.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O4 S2 -","- C33 H41 N O4 S2 -","- C132 H164 N4 O16 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","0.0582","0.0582","","","0.069","0.069","","","","","","3.674","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216958","12.9636","0.0005","12.7351","0.0004","19.3901","0.0007","90","","104.053","0.0008","90","","3105.36","0.19","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O4 S2 -","- C33 H41 N O4 S2 -","- C132 H164 N4 O16 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0314","","","","0.0401","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216959","9.7609","0.0006","18.671","0.002","9.1231","0.0005","90.878","0.004","116.678","0.002","83.19","0.003","1473.8","0.2","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 O2 S2 -","- C33 H42 O2 S2 -","- C66 H84 O4 S4 -","2","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0379","","","","0.0491","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216960","18.3159","0.0006","8.4338","0.0002","20.4494","0.0005","90","","104.829","0.001","90","","3053.66","0.14","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 F O2 S2 -","- C33 H41 F O2 S2 -","- C132 H164 F4 O8 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0301","","","","0.0417","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216961","13.415","0.002","14.115","0.004","16.489","0.006","90","","95.63","0.02","90","","3107.2","1.5","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N O2 S2 -","- C33 H43 N O2 S2 -","- C132 H172 N4 O8 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","1.5418","CuKα","","","0.0752","","","","0.0664","","","","","","3.644","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216962","11.497","0.002","16.64","0.003","15.5","0.002","90","","94.727","0.004","90","","2955.2","0.8","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 O3 S2 -","- C33 H42 O3 S2 -","- C132 H168 O12 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.074","","","","0.2359","","","","","","0.845","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216963","11.9774","0.0009","25.096","0.001","14.9633","0.0005","90","","90.477","0.0004","90","","4497.6","0.4","180.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Na5 O34 S8 -","- C26 H35 Na5 O34 S8 -","- C104 H140 Na20 O136 S32 -","4","1","","Iki, Nobuhiko; Horiuchi, Takayuki; Oka, Hiromi; Koyama, Katsuyoshi; Morohashi, Naoya; Kabuto, Chizuko; Miyano, Sotaro","Energy transfer luminescence of Tb3+ ion complexed with calix[4]arenetetrasulfonate and the thia and sulfonyl analogue. The effect of bridging groupsElectronic supplementary information (ESI) available: emission spectra of Sm3+ and Dy3+ ions complexed with 2; emission spectra of Sm3+, Eu3+ and Dy3+ complexed with 3; continuous variation curves for the Tb3+ complexes with 2 and 3. See http://www.rsc.org/suppdata/p2/b0/b009151k/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2219","","10.1039/b009151k","","","0.7107","MoKα","","","0.0567","","","","0.0655","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216964","7.141","0.005","6.945","0.002","18.886","0.005","90","","95.13","0.04","90","","932.9","0.8","153.2","","153.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.7107","MoKα","","","0.0373","","","0.0433","","","","","1.526","1.526","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216965","8.165","0.002","8.224","0.003","12.933","0.004","98.513","0.016","107.37","0.018","100.413","0.017","796.1","0.4","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N3 O4 S2 -","- C16 H13 N3 O4 S2 -","- C32 H26 N6 O8 S4 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","1.54184","CuKα","","0.0378","0.0372","","","0.1005","0.101","","","","","","1.076","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216966","7.111","0.001","6.863","0.001","13.231","0.003","90","","90","0.03","90","","645.7","0.2","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C28 H24 N4 O6 S2 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.71073","MoKα","","0.0361","0.0276","","","0.0603","0.0623","","","","","","0.936","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216967","8.1028","0.0008","8.3652","0.0008","15.7507","0.0016","96.111","0.003","90.83","0.003","93.793","0.003","1058.97","0.18","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N3 O5 S2 -","- C21 H15 N3 O5 S2 -","- C42 H30 N6 O10 S4 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.71073","MoKα","","0.0557","0.0393","","","0.1048","0.111","","","","","","1.058","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216968","7.2916","0.0016","21.129","0.005","8.0546","0.0018","90","","97.246","0.005","90","","1231","0.5","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.6879","synchrotron","","0.0444","0.0402","","","0.1072","0.1096","","","","","","1.091","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216969","17.689","0.003","6.6556","0.0013","11.735","0.002","90","","105.61","0.02","90","","1330.6","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O -","- C14 H13 N5 O -","- C56 H52 N20 O4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","1.54184","CuKα","","0.0523","0.0416","","","0.0947","0.1028","","","","","","1.043","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216970","11.256","0.004","12.126","0.005","24.781","0.009","86.248","0.006","89.449","0.006","85.085","0.006","3363","2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H83.5 N10 O20.25 -","- C64.5 H82.25 N10 O20.25 -","- C129 H164.5 N20 O40.5 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Ogden, Mark I.; Skelton, Brian W.; White, Allan H.","Solid-state and solution studies of bis-carboxylate binding by bis-amidinium calix[4]arenes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1294","","10.1039/b102831f","","","0.71073","MoKα","","0.113","0.068","","0.082","","0.072","","","1.222","","","1.376","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216971","10.569","0.003","12.071","0.003","27.334","0.007","94.522","0.005","100.971","0.005","95.754","0.005","3389.1","1.5","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H102 N4 O13 -","- C71 H101 N4 O13 -","- C142 H202 N8 O26 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Ogden, Mark I.; Skelton, Brian W.; White, Allan H.","Solid-state and solution studies of bis-carboxylate binding by bis-amidinium calix[4]arenes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1294","","10.1039/b102831f","","","0.71073","MoKα","","0.156","0.098","","0.123","","0.111","","","1.311","","","1.562","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216972","10.568","0.003","7.1","0.002","9.755","0.003","93.28","0.03","106.67","0.04","95.05","0.03","695.8","0.4","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo","Radical intermediates in the peroxidation of indoles","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1634","","10.1039/b102915k","","","1.54178","CuKα","","0.0715","0.0362","","0.0678","0.0589","","","","0.898","1.09","1.09","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216973","6.155","0.003","20.219","0.005","6.556","0.002","90","0","116.08","0.02","90","0","732.8","0.5","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo","Radical intermediates in the peroxidation of indoles","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1634","","10.1039/b102915k","","","1.54078","","","0.0469","0.0421","","0.1367","0.1183","","","","1.094","1.121","1.121","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216974","6.4943","0.0004","8.9209","0.0005","8.024","0.0005","90","","101.817","0.002","90","","455.02","0.05","123","2","123","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","1,4-dimethoxy-2,5-dimethylbenzene","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0678","0.0489","","0.1405","0.12","","","","1.108","1.08","1.08","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216975","7.813","0.0005","7.9994","0.0005","29.763","0.002","90","","90","","90","","1860.2","0.2","93","2","93","2","","","","","","","chemical synthesis","3","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0487","0.0386","","0.1055","0.0943","","","","1.036","1.065","1.065","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216976","8.073","0.002","26.577","0.005","8.445","0.002","90","","98.99","0.03","90","","1789.7","0.7","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane dication-biradical bis(hexachloroantimonate)","","- C21 H28 Cl12 O4 Sb2 -","- C21 H28 Cl12 O4 Sb2 -","- C42 H56 Cl24 O8 Sb4 -","2","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0742","0.0472","","0.1081","0.0928","","","","1.152","1.258","1.258","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216977","22.1995","0.0012","5.827","0.0003","12.6965","0.0007","90","","109.848","0.002","90","","1544.81","0.14","123","2","123","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","2,2',5,5'-tetramethoxy-4,4'-dimethylbiphenyl","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.1218","0.0584","","0.1851","0.1374","","","","0.982","1.04","1.04","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216978","7.6596","0.0002","12.8575","0.0003","13.77","0.0003","62.369","0.001","83.19","0.001","83.567","0.001","1190.47","0.05","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","2,2',5,5'-tetramethoxy-4,4'-dimethylbiphenyl hexachloroantimonate","","- C18 H22 Cl6 O4 Sb -","- C18 H22 Cl6 O4 Sb -","- C36 H44 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.084","0.0449","","0.0872","0.0696","","","","1.076","1.076","1.076","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216979","5.076","0.0003","13.9623","0.0009","14.3411","0.0009","77.796","0.002","88.587","0.002","88.641","0.002","992.94","0.11","123","2","123","2","","","","","","","chemical synthesis","3","P -1","-P 1","2","","2,2"",5,5""-tetramethoxy-4,4""-dimethylterphenyl","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.217","0.0986","","0.3313","0.2325","","","","1.015","1.2","1.2","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216980","13.4765","0.0002","15.5512","0.0002","13.8393","0.0002","90","","105.944","0.001","90","","2788.81","0.07","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","2,2"",5,5""-tetramethoxy-4,4""-dimethylterphenyl hexachloroantimonate","","- C24 H26 Cl6 O4 Sb -","- C24 H26 Cl6 O4 Sb -","- C96 H104 Cl24 O16 Sb4 -","4","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0684","0.0367","","0.0853","0.0712","","","","1.04","1.052","1.052","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216981","7.2182","0.0001","16.6646","0.0003","13.4314","0.0001","90","","103.884","0.001","90","","1568.44","0.04","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","2,2''',5,5'''-tetramethoxy-4,4'''-dimethylquaterphenyl hexachloroantimonate","","- C30 H30 Cl6 O4 Sb -","- C30 H30 Cl6 O4 Sb -","- C60 H60 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0839","0.0461","","0.0776","0.0675","","","","1.008","1.038","1.038","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216982","22.0278","0.001","7.3676","0.0003","14.2868","0.0006","90","","94.883","0.001","90","","2310.22","0.17","93","2","93","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","2,2"",5,5""-tetramethoxy-4,2',3',5',6',4""-hexamethylterphenyl","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0519","0.0399","","0.1393","0.1161","","","","1.019","1.081","1.081","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216983","13.1454","0.0002","13.4568","0.0003","14.1244","0.0003","103.375","0.001","101.858","0.001","116.056","0.001","2044.48","0.08","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","2,7-Bis(2',5'-dimethoxy-4'-methylphenyl)-9,9-dimethylfluorene hexachloroantimonate dichlormethane solvate","","- C34.76 H37.53 Cl9.53 O4 Sb -","- C34.768 H37.536 Cl9.536 O4 Sb -","- C69.536 H75.072 Cl19.072 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0755","0.0435","","0.1029","0.0894","","","","1.008","1.054","1.054","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216984","15.588","0.005","8.667","0.003","21.798","0.004","90","","109.43","0.02","90","","2777.2","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene: dioxane (1:2)","","- C26 H23 N5 O15 -","- C26 H23 N5 O15 -","- C104 H92 N20 O60 -","4","1","","Perepichka, Igor F.; Perepichka, Dmitrii F.; Lyubchik, Svetlana B.; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.","Electron acceptors of the fluorene series. Part 13. 9-(5-Nitrofuran-2-ylidene)- and 9-(5-nitro-2-thienylidene)-2,4,5,7-tetranitrofluorenes: novel π-extended electron acceptors. Synthesis, cyclic voltammetry and X-ray crystal structures for the acceptor and its 4,5-dimethyltetrathiafulvalene complex, and a theoretical study†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1546","","10.1039/b103392c","","","1.54184","CuKα","","0.051","0.0366","","","0.0889","0.0968","","","","","","1.062","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216985","16.872","0.003","7.755","0.001","23.201","0.006","90","","103.99","0.01","90","","2945.6","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene : 3,4-dimethyltetrathiafulvalene : acetonitrile (2:2:1)","","- C27 H16.5 N5.5 O11 S4 -","- C27 H15 N5.5 O11 S4 -","- C108 H60 N22 O44 S16 -","4","1","","Perepichka, Igor F.; Perepichka, Dmitrii F.; Lyubchik, Svetlana B.; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.","Electron acceptors of the fluorene series. Part 13. 9-(5-Nitrofuran-2-ylidene)- and 9-(5-nitro-2-thienylidene)-2,4,5,7-tetranitrofluorenes: novel π-extended electron acceptors. Synthesis, cyclic voltammetry and X-ray crystal structures for the acceptor and its 4,5-dimethyltetrathiafulvalene complex, and a theoretical study†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1546","","10.1039/b103392c","","","0.71073","MoKα","","0.1504","0.0816","","","0.1822","0.212","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216986","7.2193","0.0004","14.6988","0.0007","16.6931","0.0008","90","","91.325","0.0001","90","","1770.92","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-hydroxypyridine)-N'-(2-nitrophenyl)oxamide","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Torres-Valencia, J. Martín; Rojas-Lima, Susana; Höpfl, Herbert","Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1817","","10.1039/b103063a","","","0.71073","MoKα","","0.1061","0.049","","0.1011","0.0922","","","","1.181","1.589","1.589","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216987","12.825","0.003","15.11","0.003","7.341","0.001","90","","101.02","0.03","90","","1396.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-hydroxypyridine)-N'-(2-methoxyphenyl)oxamide","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","1","","Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Torres-Valencia, J. Martín; Rojas-Lima, Susana; Höpfl, Herbert","Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1817","","10.1039/b103063a","","","0.71073","MoKα","","0.0756","0.0399","","0.1248","0.1118","","","","1.014","1.141","1.141","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216988","12.6528","0.001","20.1218","0.0015","30.263","0.003","90","","100.815","0.001","90","","7568","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","L56-Cu(II) complex","","","- C145 H65 Cl3 Cu4 N4 O18 S4 -","- C86 H52 Cl5.97 Cu2 N4 O9 -","- C344 H208 Cl23.88 Cu8 N16 O36 -","4","1","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Supramolecular motifs in metal complexes of Schiff bases. Part 6. Topology of two types of self-assembly of bis-N,O-bidentate Schiff base ligands by copper(II) ions","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1674","1678","10.1039/b103902b","","","0.71073","MoKα","","0.0749","0.052","","","0.141","0.156","","","","","","1.018","","","","has coordinates","275139","2022-05-06","19:54:49",""
"7216989","16.3594","0.0008","18.2027","0.0009","24.325","0.0013","84.81","0.001","86.79","0.001","65.321","0.001","6553.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","L55-Cu(II) complex","","","- C145 H65 Cl3 Cu4 N8 O18 S4 -","- C145 H88 Cl3 Cu4 N8 O18 S4 -","- C290 H176 Cl6 Cu8 N16 O36 S8 -","2","1","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Supramolecular motifs in metal complexes of Schiff bases. Part 6. Topology of two types of self-assembly of bis-N,O-bidentate Schiff base ligands by copper(II) ions","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1674","1678","10.1039/b103902b","","","0.71073","MoKα","","0.1218","0.0603","","","0.1577","0.1936","","","","","","0.843","","","","has coordinates","275183","2022-05-07","01:32:39",""
"7216990","14.414","0.001","19.377","0.002","26.997","0.002","90","","90","","90","","7540.3","1.1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-deoxy-6-(1-propylamino)-beta-cyclodextrin","6-deoxy-6-(1-propylamino)cyclomaltoheptaose","","- C45 H97 N O44 -","- C45 H52 N O44.62 -","- C180 H208 N4 O178.48 -","4","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.1139","0.0948","","","0.2387","0.2593","","","","","","1.072","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216991","15.215","0.001","15.862","0.001","15.417","0.001","90","","116.79","0.01","90","","3321.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-cyclohexylethyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-cyclohexylethyl]aminocyclomaltoheptaose","","- C50 H101 N O42 -","- C100 H122 N2 O84 -","- C100 H122 N2 O84 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0824","0.0647","","","0.1892","0.2066","","","","","","1.071","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216992","15.019","0.002","9.115","0.001","25.988","0.005","90","","101.96","0.01","90","","3480.5","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-phenylrthyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-phenylethyl]aminocyclomaltoheptaose","","- C54 H105 N O43 -","- C105.24 H102 N2 O87.24 -","- C105.24 H102 N2 O87.24 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0801","0.0739","","","0.1968","0.2061","","","","","","1.086","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7216993","15.519","0.001","10.124","0.002","23.519","0.004","90","","102.67","0.01","90","","3605.2","1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indanyl]amino-beta-cyclodextrin","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indamyl]aminocyclomaltoheptaose","","- C51 H108 N O50 -","- C51 H75 N O49.66 -","- C102 H150 N2 O99.32 -","2","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0691","0.0668","","","0.1824","0.1875","","","","","","1.048","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7238075","15.217","0.006","33.919","0.009","7.85","0.01","90","","90","","90","","4052","6","293.2","","293.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H14 O2 S4 -","- C24 H14 O2 S4 -","- C192 H112 O16 S32 -","8","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0851","","","0.1106","","","","","1.411","1.411","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238076","11.4866","0.0009","11.4866","0.0009","15.493","0.003","90","","90","","90","","2044.2","0.5","298.2","","298.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H14 O2 S4 -","- C24 H14 O2 S4 -","- C96 H56 O8 S16 -","4","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0322","","","0.0515","","","","","1.34","1.34","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238077","8.612","0.002","29.042","0.003","18.387","0.003","90","","101.77","0.02","90","","4502.1","1.4","299.2","","299.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Cl O2 S4 -","- C25 H16 Cl O2 S4 -","- C200 H128 Cl8 O16 S32 -","8","2","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0535","","","0.0472","","","","","2.78","2.78","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238078","9.724","0.001","17.123","0.002","11.515","0.001","90","","103.278","0.009","90","","1866","0.3","293.2","","293.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H42 O4 S4 -","- C43 H36 O4 S4 -","- C86 H72 O8 S8 -","2","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0434","","","0.0678","","","","","1.39","1.39","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238079","10.715","0.002","11.387","0.0007","8.308","0.002","93.3","0.01","105.42","0.02","89.685","0.009","975.5","0.3","289.2","","289.2","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 S4 -","- C24 H14 S4 -","- C48 H28 S8 -","2","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0399","","","0.0739","","","","","1.557","1.557","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238080","7.0681","0.0012","11.9013","0.0012","9.3556","0.0012","90","","90.931","0.007","90","","786.89","0.19","125","","125","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C40 H42 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0532","0.0396","","","0.1017","0.1112","","","","","","1.047","","","","has coordinates","243914","2020-10-21","18:00:00",""
"7238081","7.0137","0.001","11.941","0.002","9.6449","0.0017","90","","92.286","0.011","90","","807.1","0.2","150","","150","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C40 H46 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0739","0.0545","","","0.1172","0.1277","","","","","","0.954","","","","has coordinates","243914","2020-10-21","18:00:00",""