# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T20:19:29+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & Biomolecular Chemistry') AND volume = 3 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
"7101000","13.0132","0.001","8.6004","0.0007","14.162","0.0011","90","","91.558","0.002","90","","1584.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:01",""
"7101001","5.5429","0.0005","9.5351","0.0008","15.1955","0.0013","82.937","0.002","85.273","0.002","77.19","0.002","775.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:02",""
"7150000","5.773","0.001","22.641","0.003","10.86","0.02","90","","105.38","0.002","90","","1369","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O15 -","- C22 H31 N O15 -","- C44 H62 N2 O30 -","2","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71069","MoKα","","0.1852","0.0617","","","0.0844","0.1141","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150001","5.356","0.002","6.688","0.002","16.787","0.007","90","","96.99","0.03","90","","596.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71073","MoKα","","0.0829","0.0534","","","0.1216","0.1404","","","","","","1.146","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150002","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150003","10.967","0.002","14.024","0.003","16.422","0.003","90","","90","","90","","2525.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.1221","0.0647","","","0.1538","0.1809","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150004","9.491","0.002","9.73","0.002","28.504","0.006","90","","90","","90","","2632.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N3 O7 -","- C26 H37 N3 O7 -","- C104 H148 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0592","0.0358","","","0.0665","0.0737","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150005","20.362","0.002","7.2285","0.0013","10.2891","0.0014","90","","90","","90","","1514.4","0.4","175","2","175","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C20 H10 Ag Cl O4 -","- C20 H10 Ag Cl O4 -","- C80 H40 Ag4 Cl4 O16 -","4","0.5","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0818","0.0597","","","0.1483","0.1632","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150006","12.6903","0.0015","22.206","0.002","12.8975","0.0017","90","","107.637","0.008","90","","3463.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 Ag2 F6 O6 S2 -","- C42 H20 Ag2 F6 O6 S2 -","- C168 H80 Ag8 F24 O24 S8 -","4","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0637","0.0496","","","0.1319","0.1609","","","","","","1.08","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150007","9.5741","0.0002","9.6621","0.0002","10.6735","0.0002","98.3042","0.0013","110.394","0.0013","101.488","0.0009","882.01","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Ag2 B2 F8 -","- C20 H10 Ag2 B2 F8 -","- C40 H20 Ag4 B4 F16 -","2","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.04","0.0301","","","0.0705","0.0752","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7150008","3.9763","0.0003","11.8245","0.001","24.323","0.002","90","","94.353","0.007","90","","1140.31","0.16","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.1029","0.0587","","","0.1606","0.19","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150009","18.985","0.003","3.9181","0.0006","14.504","0.002","90","","103.443","0.011","90","","1049.3","0.3","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.0875","0.0529","","","0.1476","0.1729","","","","","","1.176","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150010","9.766","0.003","9.337","0.002","13.7672","0.0017","90","","102.381","0.017","90","","1226.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71069","Mo-Kα","","0.0814","0.047","","","0.1114","0.1362","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150011","7.66","0.002","14.61","0.003","10.367","0.002","90","","91.13","0.03","90","","1160","0.4","140","1","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71073","Mo-Kα","","0.0422","0.0389","","","0.1015","0.1034","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150012","10.263","0.001","16.066","0.002","16.779","0.002","82.544","0.005","85.022","0.006","80.666","0.006","2700.8","0.5","173.1","","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C149 H116 N4 Zn -","- C100 H60 N4 Zn -","- C100 H60 N4 Zn -","1","0.5","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0554","0.0484","","","0.1467","0.1515","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150013","22.627","0.0013","22.627","0.0013","12.7634","0.0008","90","","90","","90","","6534.6","0.7","123.1","","123","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C162 H107 Br9 N4 -","- C132 H82 Br4 N4 -","- C264 H164 Br8 N8 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1168","0.089","","","0.2291","0.2378","","","","","","1.242","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150014","22.4739","0.0008","22.4739","0.0008","12.8564","0.0003","90","","90","","90","","6493.5","0.4","123.2","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C168 H110 Cl10 N4 Zn -","- C108 H60 N4 Zn -","- C216 H120 N8 Zn2 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0851","0.0684","","","0.1946","0.1987","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150015","19.39","0.001","19.39","0.001","36.077","0.002","90","","90","","90","","13563.9","1.2","173.2","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C180 H134 N4 -","- C720 H536 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.065","","","","0.1587","","","","","","1.117","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150016","19.3904","0.001","19.3904","0.001","36.077","0.002","90","","90","","90","","13564.5","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C108 H62 N4 -","- C432 H248 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0789","0.0658","","","0.191","0.198","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150017","19.72","0.001","19.72","0.001","35.239","0.004","90","","90","","90","","13703.7","1.8","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C168 H134 Cl8 N4 O4 -","- C168 H134 Cl8 N4 O4 -","- C672 H536 Cl32 N16 O16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0968","","","","0.2407","","","","","","1.214","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150018","19.612","0.003","19.612","0.002","36.445","0.008","90","","90","","90","","14018","4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Zn -","- C180 H132 N4 Zn -","- C720 H528 N16 Zn4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1355","0.0592","","","0.1342","0.1589","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150019","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C180 H132 N4 Ni -","- C720 H528 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0697","","","","0.173","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150020","19.6502","0.001","19.6502","0.001","35.387","0.003","90","","90","","90","","13664","1.5","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C168 H132 Cl8 N4 Ni O4 -","- C108 H60 N4 Ni -","- C432 H240 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.111","0.0747","","","0.1976","0.2036","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150021","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.1","","123","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C132 H84 N4 Ni -","- C528 H336 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0743","0.0614","","","0.164","0.17","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150022","16.2354","0.0018","18.758","0.003","19.2789","0.0017","78.364","0.009","63.381","0.006","88.391","0.01","5128","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C127 H88 Cl14 N4 -","- C114 H68 N4 -","- C228 H136 N8 -","2","1","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1245","0.0844","","","0.1909","0.2006","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150023","8.0407","0.0008","11.7673","0.0011","11.2852","0.001","90","","108.476","0.002","90","","1012.74","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O6 -","- C7 H6 N4 O6 -","- C28 H24 N16 O24 -","4","1","","Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Akhmedova, Rena G.; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah; Abboud, Khalil A.","Preparation of nitropyridines by nitration of pyridines with nitric acid.","Organic & biomolecular chemistry","2005","3","3","538","541","10.1039/b413285h","","","0.71073","MoKα","","0.0496","0.0358","","","0.102","0.1057","","","","","","1.109","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150024","16.7651","0.0015","29.395","0.003","24.507","0.002","90","","95.993","0.007","90","","12011.3","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C512 H512 N32 O96 -","8","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.2104","0.0948","","","0.2458","0.3033","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150025","14.1953","0.0007","14.6587","0.0007","15.3671","0.0007","111.121","0.004","92.666","0.004","99.425","0.004","2923.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C128 H128 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0605","0.0511","","","0.1427","0.1492","","","","","","1.047","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150026","13.4904","0.0006","14.1373","0.0007","17.7409","0.0008","83.459","0.004","69.464","0.004","76.454","0.004","3078.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H70 Cl2 N4 O12 -","- C67 H70 Cl2 N4 O12 -","- C134 H140 Cl4 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.106","0.0896","","","0.2944","0.3124","","","","","","1.29","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150027","10.3423","0.0007","13.161","0.0009","16.5605","0.0011","101.868","0.005","96.988","0.005","91.968","0.005","2185.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 N2 O8 -","- C48 H58 N2 O8 -","- C96 H116 N4 O16 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0503","0.0388","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150028","5.5369","0.0004","8.5297","0.0008","27.769","0.003","90","","90","","90","","1311.5","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.","Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.","Organic & biomolecular chemistry","2005","3","1","84","96","10.1039/b414742a","","","0.71073","MoKα","","0.0855","0.0649","","","0.1626","0.1726","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150029","6.4273","0.0003","15.6636","0.0008","18.992","0.0009","90","","90","","90","","1912.01","0.16","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.","New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.","Organic & biomolecular chemistry","2005","3","1","28","30","","","","0.71073","MoKα","","0.0298","0.0292","","","0.0767","0.0773","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150030","10.5744","0.0004","9.1217","0.0003","11.7111","0.0004","90","","115.825","0.002","90","","1016.8","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stb8b1","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C44 H56 O8 S4 -","4","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0522","0.0418","","","0.0963","0.1014","","","","","","1.181","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150031","7.5387","0.0005","6","0.0005","11.4544","0.0008","90","","91.308","0.005","90","","517.97","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","stb8b2","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C22 H28 O4 S2 -","2","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.1133","0.11","","","0.2717","0.2753","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150032","20.9699","0.0009","20.9699","0.0009","11.2756","0.0006","90","","90","","90","","4958.3","0.4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","pt1812","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C192 H304 N16 O32 S16 -","16","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0866","0.0434","","","0.0804","0.093","","","","","","1.003","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150033","7.4377","0.0002","8.3035","0.0002","9.2515","0.0003","73.265","0.002","67.994","0.002","71.219","0.002","492.34","0.03","100","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C16 H24 N4 O10 -","2","1","","Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha","Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.","Organic & biomolecular chemistry","2005","3","3","441","447","10.1039/b416118a","","","0.71069","MoKα","","0.0584","0.051","","","0.1431","0.1529","","","","","","1.063","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150034","6.6491","0.0004","6.8227","0.0004","25.8973","0.0014","90","","90","","90","","1174.83","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I O2 -","- C12 H13 I O2 -","- C48 H52 I4 O8 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0158","0.015","","","0.0336","0.0338","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150035","4.9818","0.0005","9.4157","0.001","37.792","0.004","90","","90","","90","","1772.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0618","0.0432","","","0.0963","0.1036","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150036","7.997","0.002","12.221","0.002","11.812","0.002","90","","100.647","0.004","90","","1134.5","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester","","- C19 H30 N O8 P S -","- C19 H30 N O8 P S -","- C38 H60 N2 O16 P2 S2 -","2","1","","Kjaersgaard, Anne; Jørgensen, Karl Anker","Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.","Organic & biomolecular chemistry","2005","3","5","804","808","10.1039/b416294c","","","0.71073","MoKα","","","0.033","","","","0.048","","","","","","1.188","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150037","8.3773","0.0002","9.1657","0.0003","12.7261","0.0004","94.81","0.001","96.374","0.001","108.948","0.001","910.99","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0879","0.0567","","","0.1596","0.2074","","","","","","1.165","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150038","8.3762","0.0002","9.1588","0.0003","12.7193","0.0004","94.893","0.001","96.401","0.001","108.872","0.001","909.89","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.133","0.1137","","","0.3574","0.3761","","","","","","1.711","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150039","8.3719","0.0004","9.1093","0.0005","12.6935","0.0007","97.482","0.002","103.946","0.002","109.425","0.003","862.3","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.2241","0.2028","","","0.5102","0.5249","","","","","","2.409","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150040","8.3763","0.0001","9.0965","0.0002","12.6943","0.0003","97.485","0.001","104.164","0.001","109.388","0.001","860.68","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.089","0.051","","","0.1457","0.2044","","","","","","1.107","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150041","8.3757","0.0001","9.1004","0.0001","12.6928","0.0002","97.541","0.001","104.053","0.001","109.405","0.001","861.14","0.02","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0486","0.0396","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150042","8.3654","0.0001","9.0652","0.0001","12.873","0.0003","96.696","0.001","94.048","0.001","109.717","0.001","906.38","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.099","0.0904","","","0.2273","0.2341","","","","","","1.071","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150043","8.4902","0.0001","9.1923","0.0001","12.9946","0.0002","95.62","0.001","94.84","0.001","109.66","0.001","942.97","0.02","283","","283","","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0904","0.0746","","","0.2286","0.2463","","","","","","1.085","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150044","8.415","0.0002","18.2852","0.0003","12.7741","0.0004","95.637","0.001","94.919","0.001","109.717","0.001","1826.48","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C48 H42 O6 -","- C48 H42 O6 -","- C96 H84 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0914","0.0485","","","0.1133","0.13","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150045","10.197","0.005","16.139","0.008","10.043","0.005","90","","114.16","0.006","90","","1508","1.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C70 H72 N4 O8 -","2","1","","Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki","Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.","Organic & biomolecular chemistry","2005","3","9","1609","1611","10.1039/b416535g","","","0.7107","MoKα","","0.0875","0.0621","","","0.1216","0.1359","","","","","","1.103","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150046","8.964","0.006","6.265","0.004","11.241","0.008","90","","107.109","0.018","90","","603.4","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3'-Biquinoline","3,3'-Biquinoline","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.1043","0.0433","","","0.0907","0.1035","","","","","","0.843","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150047","8.557","0.004","6.33","0.003","11.841","0.005","90","","106.689","0.006","90","","614.4","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","2,2'-biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0802","0.0547","","","0.1184","0.1328","","","","","","1.026","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150048","5.779","0.003","5.35","0.003","18.906","0.01","90","","91.466","0.007","90","","584.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8","2,2'-biquinoxaline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0438","0.0359","","","0.1067","0.1112","","","","","","1.064","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150049","22.523","0.017","3.912","0.003","6.979","0.005","90","","106.14","0.01","90","","590.7","0.8","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","4,4'-Biquinazoline","4,4'-Biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0608","0.0457","","","0.1045","0.1082","","","","","","0.965","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150050","4.627","0.001","16.48","0.002","7.004","0.001","90","","94.34","0.01","90","","532.54","0.15","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-Bibenzoxazole","2,2'-Bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0656","0.0441","","","0.1071","0.1126","","","","","","0.92","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150051","8.993","0.001","5.988","0.001","11.445","0.002","90","","110.87","0.01","90","","575.88","0.16","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Bibenzothiazole","2,2'-Bibenzothiazole","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C28 H16 N4 S4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0483","0.0342","","","0.0841","0.0876","","","","","","0.928","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150052","7.277","0.003","7.639","0.003","19.94","0.008","90","","90","","90","","1108.4","0.8","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1'-bibenzotriazole","1,1'-bibenzotriazole","","- C12 H8 N6 -","- C12 H8 N6 -","- C48 H32 N24 -","4","1","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0781","0.0558","","","0.1233","0.1331","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150053","13.3374","0.0017","7.6406","0.001","15.5158","0.0019","90","","98.311","0.004","90","","1564.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","28-epi-cyasterone 2","","","- C29 H50 O11 -","- C29 H44 O11 -","- C58 H88 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.2112","0.1447","","","0.3689","0.4073","","","","","","1.303","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150054","13.6542","0.0011","7.7755","0.0004","15.7636","0.0012","90","","100.215","0.003","90","","1647.1","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","cyasterone 1","","","- C32 H56 O11 -","- C32 H56 O11 -","- C64 H112 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.0667","0.0647","","","0.1674","0.1693","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150055","22.845","0.004","11.858","0.002","7.188","0.001","90","","90","","90","","1947.2","0.5","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-Methyl-3-phenyl-5-(thienyl-2)-7,8- dimethoxypyrazolo(3,4)isoquinoline","1-Methyl-3-phenyl-5-(thienyl-2)-7,8-dimethoxypyrazolo[3,4]isoquinoline","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0528","0.0392","","","0.0797","0.0847","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150056","7.086","0.001","10.791","0.003","12.85","0.002","104.16","0.02","105.87","0.02","95.86","0.01","901.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1-methyl-3-phenyl-7,8-dimethoxypyrazolo(3,4-c)isoquinoline, acetonitile solvate","1-methyl-3-phenyl-7,8-dimethoxypyrazolo[3,4-c]isoquinoline, acetonitile solvate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C42 H40 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0653","0.0404","","","0.0951","0.105","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150057","8.944","0.004","12.945","0.005","13.918","0.007","64.13","0.02","73.04","0.02","81","0.02","1386.1","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-(4-(dimethylamino)phenyl)-7,8-dimethoxypyrazolo(3,4- c)isoquinoline","5-{4-(dimethylamino)phenyl}- 7,8-dimethoxypyrazolo[3,4-c]isoquinoline","","- C35 H34 N4 O2 -","- C35 H34 N4 O2 -","- C70 H68 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.1166","0.0505","","","0.0787","0.0932","","","","","","0.835","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150058","10.113","0.002","10.206","0.002","29.277","0.007","90","","90","","90","","3021.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C160 H144 O8 -","4","1","","Huang, Jin-Wen; Shi, Min","Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.","Organic & biomolecular chemistry","2005","3","3","399","400","10.1039/b417139j","","","0.71073","MoKα","","0.2113","0.0555","","","0.0742","0.1046","","","","","","0.635","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150059","19.3595","0.0013","8.8441","0.0006","16.7833","0.0011","90","","115.701","0.001","90","","2589.3","0.3","115","2","115","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0421","0.0383","","","0.1048","0.1087","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150060","9.2508","0.0009","9.313","0.0009","15.5363","0.0015","100.325","0.002","90.36","0.002","99.592","0.002","1297.5","0.2","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0713","0.0427","","","0.0917","0.1019","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150061","9.7754","0.0007","9.7754","0.0007","20.3627","0.0019","90","","90","","120","","1685.1","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","","Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank","1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.","Organic & biomolecular chemistry","2005","3","9","1714","1718","10.1039/b418849g","","","0.71073","MoKα","","0.0424","0.0396","","","0.1159","0.1207","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150062","10.0036","0.0007","27.0011","0.0018","12.1811","0.0008","90","","95.159","0.001","90","","3276.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-hydroxy-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxa- dibenzo(a,e)cyclo-nonan-13-one","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","4","","Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques","Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.","Organic & biomolecular chemistry","2005","3","7","1308","1318","10.1039/b419381d","","","0.71073","MoKα","","0.0581","0.045","","","0.0854","0.0901","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150063","9.3969","0.0003","10.5034","0.0003","10.5516","0.0004","71.075","0.001","88.902","0.002","81.541","0.001","973.97","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N3 O -","- C22 H18 Br N3 O -","- C44 H36 Br2 N6 O2 -","2","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.0409","0.0342","","","0.0812","0.085","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150064","25.8225","0.0003","10.7493","0.0002","15.627","0.0003","90","","117.694","0.001","90","","3840.74","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H24 N4 O -","- C21.5 H23.5 N4 O -","- C172 H188 N32 O8 -","8","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.059","0.0519","","","0.1198","0.1259","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150065","5.7502","0.0001","29.873","0.001","9.1184","0.0003","90","","101.11","0.002","90","","1536.97","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.71073","MoKα","","0.1437","0.0587","","","0.1075","0.1347","","","","","","1.031","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150066","11.48","0.0003","12.8012","0.0004","28.1994","0.0008","90","","90","","90","","4144.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Cu N4 O6 -","- C41 H56 Cu N4 O6 -","- C164 H224 Cu4 N16 O24 -","4","1","","Gottschaldt, Michael; Koth, Daniel; Görls, Helmar","Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.","Organic & biomolecular chemistry","2005","3","7","1170","1171","10.1039/b500785b","","","0.71073","MoKα","","0.0775","0.0534","","","0.1039","0.1155","","","","","","1.065","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150067","5.7388","0.0001","9.4909","0.0001","38.243","0.0008","90","","90","","90","","2082.96","0.06","100","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0715","0.043","","","0.098","0.1113","","","","","","1.044","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150068","8.7774","0.0004","8.3066","0.0004","13.4961","0.0008","90","","96.211","0.0017","90","","978.23","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C34 H62 N2 O14 -","2","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0491","0.0437","","","0.1123","0.1169","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150069","6.3217","0.0002","13.4551","0.0004","17.512","0.0005","90","","93.06","0.0016","90","","1487.43","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R,5S,5S)-Spiro(6,6-dimethyl-bicyclo(3.1.1)heptane)-2,5-(5,6- dihydro-(1,3)dithiolo(4,5-b)(1,4)dithiine-2-thione)","(1R,5S,5S)-Spiro[6,6-dimethyl-bicyclo[3.1.1]heptane]-2,5- [5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione]","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","2","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0682","0.0422","","","0.0989","0.1131","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150070","7.2322","0.0002","9.3635","0.0002","11.3961","0.0003","90","","106.405","0.0011","90","","740.31","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6- trimethyl-1,3-dithiolo(4,5-b)-(1,4)benzodithiin-2-thione","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6-trimethyl- 1,3-dithiolo[4,5-b]-[1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C26 H32 S10 -","2","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0418","0.0386","","","0.091","0.0932","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150071","7.609","0.0001","9.789","0.0002","20.1711","0.0005","90","","90","","90","","1502.43","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a- methyl-1,3-dithiolo (4,5-b)(1,4)benzodithiin-2-thione","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a-methyl-1,3-dithiolo [4,5-b][1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0283","0.0253","","","0.0594","0.0603","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150072","14.324","0.006","22.806","0.006","26.47","0.008","90","","97.2","0.03","90","","8579","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.26 H53.06 F6 N O12.27 P -","- C42.265 H52.795 F6 N O12.265 P -","- C338.12 H422.36 F48 N8 O98.12 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.1119","0.0578","","","0.1477","0.1901","","","","","","0.962","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150073","10.3429","0.0007","12.6823","0.0009","13.1381","0.0009","83.774","0.001","72.711","0.001","77.938","0.001","1607.17","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C56 H72 F12 K2 O24 P2 -","2","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0466","0.0392","","","0.095","0.0988","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150074","13.8926","0.0014","12.4235","0.0011","8.2043","0.0008","90","","105.243","0.009","90","","1366.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","HW-trans-24C8","","","- C28 H36 O12 -","- C28 H36 O12 -","- C56 H72 O24 -","2","0.5","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","x-ray","0.71073","MoKα","","0.0845","0.0649","","","0.1886","0.2109","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150075","16.84","0.002","19.447","0.003","19.41","0.002","90","","91.429","0.011","90","","6354.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[K-trans24c8][PF6]","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C224 H288 F48 K8 O96 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0756","0.0585","","","0.1704","0.1926","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150076","7.7237","0.0007","9.8885","0.0009","11.0929","0.001","81.444","0.002","70.937","0.002","89.529","0.002","791.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(cyclopentadienyl)-p-toluoyltitanium bromide","","","- C18 H17 Br O Ti -","- C18 H17 Br O Ti -","- C36 H34 Br2 O2 Ti2 -","2","1","","Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro","A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media.","Organic & biomolecular chemistry","2005","3","9","1622","1623","10.1039/b503117f","","","0.71073","MoKα","","0.0417","0.0335","","","0.0892","0.0926","","","","","","0.98","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150077","6.9505","0.0008","28.848","0.003","7.3706","0.0008","90","","116.961","0.002","90","","1317.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0512","0.041","","","0.0964","0.1006","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150078","5.1517","0.0014","11.726","0.003","18.705","0.005","90","","94.289","0.005","90","","1126.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 S -","- C10 H10 N2 O5 S -","- C40 H40 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0746","0.0545","","","0.1061","0.1137","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150079","10.162","0.0008","21.4665","0.0017","5.435","0.0004","90","","90","","90","","1185.6","0.16","130","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 N2 O6 -","- C11 H10 N2 O6 -","- C44 H40 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.039","0.0375","","","0.0915","0.0924","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150080","11.503","0.002","7.7574","0.0016","12.737","0.003","90","","111.04","0.004","90","","1060.8","0.4","130","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0702","0.046","","","0.0923","0.0991","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150081","11.1796","0.0017","7.2234","0.0011","12.745","0.002","90","","115.033","0.003","90","","932.5","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0783","0.0496","","","0.1028","0.1123","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150082","14.0459","0.0019","7.8502","0.0011","14.279","0.002","90","","115.424","0.002","90","","1422","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0426","0.0379","","","0.1012","0.1037","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150083","10.3778","0.0008","12.0317","0.001","11.3503","0.0009","90","","104.395","0.002","90","","1372.73","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.048","0.0381","","","0.0853","0.0888","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150084","6.1596","0.0006","7.902","0.0008","24.235","0.002","90","","90","","90","","1179.59","0.19","130","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O7 -","- C10 H9 N3 O7 -","- C40 H36 N12 O28 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0433","0.0381","","","0.0793","0.0814","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150085","5.225","0.002","15.283","0.009","43.03","0.01","90","","90","","90","","3436","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O5 -","- C41 H43 N O5 -","- C164 H172 N4 O20 -","4","1","","Masson, Géraldine; Philouze, Christian; Py, Sandrine","Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.","Organic & biomolecular chemistry","2005","3","11","2067","2069","10.1039/b503981a","","","0.71073","MoKα","","0.0481","0.0481","","0.0516","","0.0516","","","1.839","","","1.839","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150086","11.2674","0.001","19.6076","0.0016","12.0348","0.001","90","","117.463","0.002","90","","2359.2","0.3","295","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of (-)-trachyspic acid.","Organic & biomolecular chemistry","2005","3","11","2073","2074","10.1039/b504258e","","","0.71073","MoKα","","0.0979","0.0457","","","0.074","0.0856","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150087","23.6543","0.0005","30.2367","0.0001","31.2827","0.0006","90","","90","","90","","22374.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 N30 O31 Pt -","- C50 H56 N30 O31 Pt -","- C600 H672 N360 O372 Pt12 -","12","3","","Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon","Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug.","Organic & biomolecular chemistry","2005","3","11","2122","2125","10.1039/b504487a","","","0.71073","MoKα","","0.1643","0.0827","","","0.1744","0.2162","","","","","","1.04","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150088","12.723","0.001","5.3119","0.0003","17.908","0.001","90","","100.305","0.003","90","","1190.76","0.13","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 N3 O6 S -","- C22 H31 N3 O6 S -","- C44 H62 N6 O12 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.08","","","","0.154","","","","","","1.389","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150089","11.2302","0.0004","5.539","0.0002","17.85","0.001","90","","95.444","0.002","90","","1105.33","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N3 O5 S -","- C22 H29 N3 O5 S -","- C44 H58 N6 O10 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.067","","","","0.067","","","","","","1.447","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150090","5.0426","0.0006","7.6092","0.0007","21.615","0.003","90","","90","","90","","829.37","0.17","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Cl N2 O -","- C6 H13 Cl N2 O -","- C24 H52 Cl4 N8 O4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.046","","","","0.092","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150091","5.212","0.004","13.5426","0.0008","22.162","0.002","90","","90","","90","","1564.3","1.2","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.056","","","","0.109","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150092","10.7","0.04","13.81","0.05","15.55","0.06","90","","90","","90","","2298","15","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Br K N5 O4 -","- C20 H31 Br K N5 O4 -","- C80 H124 Br4 K4 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0823","0.0584","","","0.1436","0.1558","","","","","","0.984","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150093","8.321","0.007","9.079","0.007","14.321","0.012","101.75","0.02","101.706","0.016","103.15","0.02","995.6","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N5 O S2 -","- C18 H26 N5 O S2 -","- C36 H52 N10 O2 S4 -","2","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0682","0.0533","","","0.136","0.1444","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150094","9.572","0.002","23.209","0.005","10.117","0.002","90","","112.214","0.004","90","","2080.7","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N5 O4 -","- C20 H31 N5 O4 -","- C80 H124 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1184","0.0539","","","0.1016","0.1216","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150095","8.324","0.004","17.781","0.009","13.033","0.005","90","","103.797","0.013","90","","1873.3","1.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N5 O3 -","- C18 H27 N5 O3 -","- C72 H108 N20 O12 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1343","0.0706","","","0.1572","0.186","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150096","12.683","0.006","14.165","0.006","23.626","0.01","90","","98.43","0.01","90","","4199","3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N10 S6 -","- C36 H54 N10 S6 -","- C144 H216 N40 S24 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1224","0.0683","","","0.1551","0.1807","","","","","","1.025","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150097","10.7399","0.0006","12.8444","0.0008","17.6182","0.0011","90","","90","","90","","2430.4","0.3","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O4 P -","- C29 H27 O4 P -","- C116 H108 O16 P4 -","4","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.1374","0.069","","","0.1201","0.1428","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150098","13.165","0.0008","28.102","0.002","7.2735","0.0003","90","","90","","90","","2690.9","0.3","180","2","180","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.0798","0.0579","","","0.1182","0.1265","","","","","","1.269","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150099","7.32","0.008","8.396","0.006","13.236","0.014","90","","90.07","0.09","90","","813.5","1.4","150","0.2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Hayes, Christopher J.; Herbert, Nicola M. A.; Harrington-Frost, Nicole M; Pattenden, Gerald","alpha,beta-Unsaturated and cyclopropyl acyl radicals, and their ketene alkyl radical equivalents. Ring synthesis and tandem cyclisation reactions.","Organic & biomolecular chemistry","2005","3","2","316","327","10.1039/b413815p","","","0.71073","MoKα","","0.0651","0.0485","","","0.112","0.127","","","","","","1.05","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150100","10.245","0.002","7.16","0.0013","15.02","0.003","90","","107.943","0.004","90","","1048.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Broussy, Sylvain; Bernardes-Génisson, Vania; Gornitzka, Heinz; Bernadou, Jean; Meunier, Bernard","Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct.","Organic & biomolecular chemistry","2005","3","4","666","669","10.1039/b415439h","","","0.71073","MoKα","","0.0593","0.0411","","","0.0887","0.0962","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150101","8.889","0.001","11.196","0.001","13.856","0.001","90","","92.09","0.01","90","","1378","0.2","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N3 O6 -","- C25 H39 N3 O6 -","- C50 H78 N6 O12 -","2","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.0925","0.0601","","","0.1092","0.1232","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150102","47.011","0.001","13.325","0.001","14.106","0.001","90","","95.26","0.01","90","","8799.1","0.9","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C76 H123 N9 O20 -","- C76 H121 N9 O20 -","- C304 H484 N36 O80 -","4","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.1121","0.0665","","","0.1548","0.1804","","","","","","1.019","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150103","25.9377","0.0017","31.857","0.002","26.5255","0.0018","90","","106.746","0.002","90","","20988","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H191 N2 Na7 O69 S8 -","- C132 H134 N2 Na7 O67.5 S8 -","- C528 H536 N8 Na28 O270 S32 -","4","2","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2131","0.1806","","","0.4369","0.4681","","","","","","1.979","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150104","23.135","0.002","23.135","0.002","31.904","0.003","90","","90","","90","","17076","3","150","2","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C104 H83 Na8 O63 S8 -","- C104 H88 Na8 O59.52 S8 -","- C416 H352 Na32 O238.08 S32 -","4","0.25","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2","0.1842","","","0.4216","0.4435","","","","","","1.939","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7150105","15.44","0.002","15.483","0.002","17.971","0.003","112.852","0.003","99.09","0.003","103.334","0.003","3702.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C108 H192 N4 O88 -","- C108 H160 N4 O88 -","- C108 H160 N4 O88 -","1","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1346","0.082","","","0.2006","0.2431","","","","","","1.051","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150106","15.46","0.004","32.209","0.008","15.512","0.004","90","","103.096","0.004","90","","7523","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H205 N6 O91.5 -","- C108 H156 N6 O91.5 -","- C216 H312 N12 O183 -","2","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1371","0.0972","","","0.2595","0.2859","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150107","9.6984","0.0002","16.5958","0.0003","25.445","0.0006","90","","90","","90","","4095.44","0.15","93.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C192 H224 N32 O16 -","16","2","","Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi","Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations.","Organic & biomolecular chemistry","2005","3","4","638","644","10.1039/b416013d","","","0.7107","MoKα","","","0.056","","","","0.098","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150108","7.4175","0.0004","8.7683","0.0005","12.4464","0.0007","90","","90.586","0.001","90","","809.46","0.08","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C20 H44 N4 O20 S4 -","4","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.0296","0.0279","","","0.0773","0.0784","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150109","7.3712","0.0005","7.4301","0.0005","9.0586","0.0006","66.362","0.001","87.942","0.001","64.538","0.001","404.73","0.05","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C10 H22 N2 O10 S2 -","2","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.031","0.0291","","","0.0825","0.0841","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150110","17.705","0.002","21.289","0.002","19.354","0.002","90","","96.336","0.003","90","","7250.4","1.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 -","- C52 H40 -","- C416 H320 -","8","1","","Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.","Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.","Organic & biomolecular chemistry","2005","3","4","581","583","10.1039/b416820h","","","0.71073","MoKα","","0.0693","0.0401","","","0.0997","0.108","","","","","","0.875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150111","15.676","0.004","6.4009","0.0004","18.702","0.003","90","","112.578","0.008","90","","1732.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C48 H72 Br24 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0451","","0.1116","0.1098","","","","1.001","1.163","1.163","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150112","6.574","0.0002","31.53","0.0006","7.667","0.0004","90","","108.03","0.006","90","","1511.16","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0415","0.0396","","0.105","0.1047","","","","1.101","1.144","1.144","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150113","9.9321","0.001","13.1468","0.0005","11.9463","0.0005","90","","109.373","0.008","90","","1471.57","0.18","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0496","","0.1349","0.132","","","","0.95","1.067","1.067","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150114","11.4559","0.0014","7.4771","0.0013","17.7504","0.0008","90","","91.342","0.007","90","","1520","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0566","0.0442","","0.1089","0.1075","","","","0.967","1.117","1.117","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150115","7.733","","15.842","","10.62","","90","","102.83","","90","","1268.53","","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C48 H72 Br8 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokalpha","","","0.079","","","","0.076","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"7150116","10.2529","0.0007","13.9866","0.0017","14.4984","0.0013","75.851","0.007","79.144","0.007","83.639","0.008","1975.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Br6 N -","- C14 H21 Br6 N -","- C56 H84 Br24 N4 -","4","2","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71073","MoKα","","0.0634","0.0484","","","0.1124","0.1201","","","","","","1.028","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150117","17.163","0.002","12.517","0.001","14.25","0.001","90","","90","","90","","3061.3","0.5","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C96 H144 Br32 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokα","","","0.068","","","","0.087","","","","","","","","","","has coordinates","277892","2022-09-15","16:23:53",""
"7150118","11.67","0.002","28.998","0.006","10.483","0.003","90","","90","","90","","3547.5","1.4","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C96 H144 Br48 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","MoKα","","","0.054","","","","0.072","","","","","","","","","","has coordinates","277893","2022-09-15","16:27:41",""
"7150119","10.057","0.002","13.722","0.003","15.423","0.003","72.17","0.03","80.39","0.03","86.9","0.03","1997.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9.43 N3 O -","- C12.9294 H9.42857 N2.98371 O0.994571 -","- C90.506 H66 N20.886 O6.962 -","7","3.5","","Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth","Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one.","Organic & biomolecular chemistry","2005","3","6","996","1001","10.1039/b417485b","","","0.71073","MoKα","","0.2038","0.0977","","","0.283","0.3289","","","","","","1.149","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150120","15.358","0.0004","15.358","0.0004","20.1237","0.0012","90","","90","","120","","4110.6","0.3","130","2","130","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C39 H24 O3 -","- C39 H24 O3 -","- C234 H144 O18 -","6","0.5","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0966","0.0497","","","0.0773","0.0881","","","","","","0.887","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150121","20.7668","0.0018","10.7728","0.0008","25.164","0.0018","90","","104.376","0.002","90","","5453.3","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26.5 N1.5 O -","- C38 H26.5 N1.5 O -","- C304 H212 N12 O8 -","8","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0526","0.0481","","","0.1329","0.1369","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150122","10.0236","0.0011","10.4368","0.0011","12.1152","0.0013","109.755","0.002","103.475","0.002","90.167","0.002","1155.4","0.2","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","","","0.0788","0.0456","","","0.0676","0.0753","","","","","","0.803","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150123","7.0435","0.0001","16.1734","0.0004","16.3288","0.0004","90","","90","","90","","1860.13","0.07","200","","200","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.0431","0.0276","","0.034","0.0297","0.0297","","","","","","1.1307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150124","18.685","0.0002","18.685","0.0002","12.2539","0.0001","90","","90","","120","","3705.03","0.06","200","","","","","","","","","","Local laboratory","3","P 31","P 31","144","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C144 H234 O54 -","9","3","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.043","0.038","","0.05","0.048","0.048","","","1.281","1.292","1.292","1.292","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150125","17.357","0.008","13.487","0.005","14.83","0.006","90","","90","","90","","3472","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C46 H38 O6 -","- C46 H32 O6 -","- C184 H128 O24 -","4","0.5","","Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar","Methoxy-substituted centrohexaindanes through the fenestrane route.","Organic & biomolecular chemistry","2005","3","4","570","571","10.1039/b417837h","","","0.71073","MoKα","","0.1294","0.0753","","","0.1787","0.2126","","","","","","1.018","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150126","12.543","0.006","7.122","0.003","12.956","0.006","90","","102.4","0.03","90","","1130.4","0.9","188","2","188","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4`-diformylphenyl ether","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana","Tuning the size of macrocyclic cavities in trianglimine macrocycles.","Organic & biomolecular chemistry","2005","3","10","1911","1921","10.1039/b417941b","","","0.71073","MoKα","","0.0744","0.0495","","","0.1211","0.1366","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150127","6.7991","0.0003","14.3737","0.0007","18.467","0.0008","90","","90","","90","","1804.75","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F4 O3 S -","- C17 H25 B F4 O3 S -","- C68 H100 B4 F16 O12 S4 -","4","1","","Aggarwal, Varinder K.; Hebach, Christina","Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.","Organic & biomolecular chemistry","2005","3","8","1419","1427","10.1039/b418740g","","","0.71073","MoKα","","0.0319","0.0292","","","0.0745","0.0761","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7150128","8.5216","0.0013","8.6643","0.0013","10.4987","0.0016","92.857","0.003","96.328","0.003","113.673","0.003","701.82","0.19","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C31 H38 O9 -","1","1","","Loeb, Stephen J.; Tramontozzi, David A.","Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.","Organic & biomolecular chemistry","2005","3","8","1393","1401","10.1039/b418772e","","","0.71073","MoKα","","0.1038","0.0965","","","0.2346","0.2429","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150129","5.6","0.001","24.29","0.002","7.74","0.001","90","","96.24","0.004","90","","1046.6","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","2","","Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra","Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.","Organic & biomolecular chemistry","2005","3","6","967","969","10.1039/b418848a","","","1.54178","CuKα","","0.0478","0.0452","","","0.0867","0.0885","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150130","9.891","0.005","10.066","0.005","11.732","0.005","90","","96.743","0.005","90","","1160","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio","Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.","Organic & biomolecular chemistry","2005","3","6","1134","1139","10.1039/b419108k","","","0.71069","MoKα","","0.0974","0.0584","","","0.141","0.1609","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150131","10.6747","0.0006","12.0073","0.0003","15.319","0.0011","101.634","0.003","99.209","0.004","90.717","0.004","1896.34","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1544","0.0775","","","0.211","0.2478","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150132","14.266","0.006","12.599","0.004","19.587","0.004","90","","100.86","0.02","90","","3457","2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C132 H180 N12 O24 -","12","3","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1816","0.0478","","","0.1214","0.1588","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150133","10.0678","0.0016","12.211","0.003","9.0829","0.0012","97.147","0.015","92.285","0.015","109.753","0.014","1038.7","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 N2 O3 -","- C19 H34 N2 O3 -","- C38 H68 N4 O6 -","2","1","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.3179","0.0688","","","0.1691","0.2319","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150134","12.233","0.004","13.207","0.004","11.841","0.004","105.46","0.02","109.07","0.03","90.81","0.03","1731.8","1.1","298","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1885","0.0605","","","0.1706","0.2267","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150135","13.2912","0.0006","13.0775","0.0005","12.1094","0.0005","90","","90","","90","","2104.8","0.15","200","","200","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H35 N3 O3 -","- C20 H35 N3 O3 -","- C80 H140 N12 O12 -","4","0.5","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.0445","0.0387","","","0.0906","0.0928","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150136","10.5772","0.0004","17.2951","0.0007","9.394","0.0004","90","","109.781","0.001","90","","1617.08","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O3 S -","- C16 H15 F2 N3 O3 S -","- C64 H60 F8 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0542","0.0505","","","0.1276","0.1317","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150137","31.208","0.004","5.051","0.001","21.756","0.002","90","","110.08","0.01","90","","3221","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F3 N3 O2 S -","- C16 H12 F3 N3 O2 S -","- C128 H96 F24 N24 O16 S8 -","8","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0695","0.0445","","","0.1021","0.1176","","","","","","1.043","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150138","10.614","0.002","7.484","0.001","20.523","0.003","90","","96.25","0.01","90","","1620.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N3 O2 S -","- C16 H13 F2 N3 O2 S -","- C64 H52 F8 N12 O8 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.064","0.0419","","","0.1017","0.1139","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150139","15.9809","0.001","9.4557","0.0006","10.5313","0.0007","90","","90.471","0.001","90","","1591.34","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0467","0.037","","","0.0928","0.0978","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150140","8.3741","0.0005","19.8459","0.0013","10.4665","0.0007","90","","108.845","0.001","90","","1646.2","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N3 O3 S -","- C16 H14 F3 N3 O3 S -","- C64 H56 F12 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0355","0.0295","","","0.0767","0.0788","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150141","8.46","0.001","16.282","0.002","10.706","0.001","90","","107.52","0.01","90","","1406.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0818","0.0461","","","0.1104","0.1322","","","","","","0.99","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150142","5.0885","0.0003","15.5224","0.0017","16.5379","0.0016","102.839","0.008","95.947","0.006","94.025","0.007","1260.9","0.2","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C25 H37 N2 O4 S2 -","- C25 H37 N2 O4 S2 -","- C50 H74 N4 O8 S4 -","2","1","","Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.","Organic & biomolecular chemistry","2005","3","8","1402","1409","10.1039/b500527b","","","0.71073","MoKα","","0.1689","0.101","","","0.2367","0.2801","","","","","","1.035","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150143","13.383","0.0004","7.0716","0.0002","13.9236","0.0005","90","","110.93","0.0015","90","","1230.77","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C54 H68 N4 O8 -","2","1","","Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.","Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.","Organic & biomolecular chemistry","2005","3","8","1435","1447","10.1039/b500566c","","","0.71073","MoKα","","","0.0316","","","","0.0354","","","","","","1.0513","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150144","6.2236","0.0012","9.575","0.002","10.455","0.002","90","","92.63","0.01","90","","622.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Glytham","(4aR*,4bR*,8aS*,8bS*)-[6a-(Hydroxymethyl)hexahydro-2H,6H-1,4,5,8-tetraoxa- 6b,8c-diazadicyclopent[cd,ij]-s-indacen-2(3H)-yl]methanol","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0373","0.0338","","","0.0944","0.0967","","","","","","1.047","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150145","15.63","0.0019","12.6665","0.0015","7.9832","0.001","90","","93.946","0.003","90","","1576.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0357","0.0328","","","0.0811","0.0845","","","","","","1.122","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150146","12.47","0.008","15.549","0.008","16.864","0.003","90","","98.63","0.04","90","","3233","3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N3 O7 -","- C37 H41 N3 O7 -","- C148 H164 N12 O28 -","4","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.2698","0.0654","","","0.0855","0.1298","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150147","12.7722","0.0018","15.865","0.002","20.138","0.003","78.132","0.002","71.638","0.002","69.81","0.002","3613.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Cl2 N6 O25 -","- C72 H80 Cl2 N6 O25 -","- C144 H160 Cl4 N12 O50 -","2","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.172","0.091","","","0.2634","0.3236","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150148","6.622","0.002","8.534","0.002","39.364","0.013","90","","90","","90","","2224.5","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3- benzodioxole-4-carboxylate","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3-benzodioxole-4-carboxylate","","- C25 H26 O8 -","- C25 H26 O8 -","- C100 H104 O32 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.2819","0.0963","","","0.1863","0.26","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150149","5.871","0.003","9.395","0.004","16.257","0.007","87.588","0.007","86.434","0.007","81.819","0.007","885.4","0.7","150","2","150","2","","","","","","","","3","P 1","P 1","1","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1- carboxylate","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1-carboxylate","","- C16 H22 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","2","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.1069","0.0671","","","0.1686","0.1891","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150150","11.8427","0.0009","6.0131","0.0003","20.0259","0.0011","90","","90.914","0.005","90","","1425.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 Te -","- C17 H12 O2 Te -","- C68 H48 O8 Te4 -","4","1","","Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus","Multifunctional redox catalysts as selective enhancers of oxidative stress.","Organic & biomolecular chemistry","2005","3","14","2579","2587","10.1039/b502197a","","","0.71073","MoKα","","0.0424","0.0327","","","0.0804","0.0849","","","","","","1.019","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150151","9.3004","0.0005","14.8301","0.0009","11.6244","0.0004","90","","108.528","0.003","90","","1520.2","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br O4 -","- C16 H21 Br O4 -","- C64 H84 Br4 O16 -","4","1","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0637","0.0473","","","0.1163","0.1242","","","","","","1.092","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150152","9.6393","0.0002","9.6637","0.0002","17.7208","0.0004","78.728","0.001","79.019","0.001","76.781","0.001","1557.5","0.06","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","2","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0419","0.0376","","","0.0875","0.0904","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150153","6.4839","0.0004","12.5501","0.001","13.7734","0.0007","90","","90","","90","","1120.79","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cl N2 O3 -","- C10 H15 Cl N2 O3 -","- C40 H60 Cl4 N8 O12 -","4","1","","Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.","Organic & biomolecular chemistry","2005","3","12","2287","2295","10.1039/b503014e","","x-ray","0.71073","MoKα","","0.0454","0.0364","","","0.076","0.0802","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150154","6.0476","0.0001","10.1799","0.0003","32.0263","0.0009","90","","90","","90","","1971.67","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0364","0.0325","","","0.0734","0.076","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150155","15.717","0.003","6.1884","0.0012","39.42","0.008","90","","90","","90","","3834.1","1.3","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N O2 S2 -","- C20 H25 N O2 S2 -","- C160 H200 N8 O16 S16 -","8","2","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0583","0.0418","","","0.0976","0.1047","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150156","8.5638","0.0003","14.0302","0.0005","23.1201","0.0009","90","","90","","90","","2777.92","0.18","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl N S -","- C13 H20 Cl N S -","- C104 H160 Cl8 N8 S8 -","8","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.085","0.0699","","","0.1926","0.2037","","","","","","1.189","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150157","24.525","0.005","8.188","0.002","26.609","0.004","90","","116.853","0.014","90","","4767.2","1.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","2","","Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang","Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.","Organic & biomolecular chemistry","2005","3","15","2848","2858","10.1039/b503281d","","","0.71073","MoKα","","0.1373","0.0806","","","0.2046","0.2376","","","","","","1.022","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150158","22.385","0.006","16.653","0.004","7.093","0.004","90","","90","","90","","2644.1","1.8","293","","293","","","","","","","","?","6","P b c n","-P 2n 2ab","60","potassium salt of bis (N- (trifluoromethylsulfonylimino))trifluoro-methanesulfonic acid","potassium salt of bis [N-(trifluoromethylsulfonylimino)]trifluoro- methanesulfonic acid","","- C3 F9 K N2 O5 S3 -","- C3 F9 K N2 O5 S3 -","- C24 F72 K8 N16 O40 S24 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1687","0.0674","","0.0831","0.0649","0.0649","","","","","","1.1658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150159","13.479","0.007","11.203","0.004","24.545","0.008","90","","90","","90","","3706","3","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","potassium solt of N-bis(N- (trifluoromethylsulfonylimido))trifluoromethane-sulfoximidoyl imide","potassium solt of N-bis[N-(trifluoromethylsulfonylimido)]trifluoromethane- sulfoximidoyl imide","","- C4 F12 K N3 O6 S4 -","- C4 F12 K N3 O6 S4 -","- C32 F96 K8 N24 O48 S32 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1409","0.0401","","0.0833","0.0443","0.0443","","","","","","1.1501","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150160","17.354","0.0002","9.797","0.0001","17.737","0.0002","90","","104.153","0.001","90","","2924.06","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O2 -","- C14 H25 N O2 -","- C112 H200 N8 O16 -","8","2","","Feuillet, Fred J. P.; Cheeseman, Matt; Mahon, Mary F.; Bull, Steven D.","Stereoselective synthesis of (E)-trisubstituted alpha,beta-unsaturated amides and acids.","Organic & biomolecular chemistry","2005","3","16","2976","2989","10.1039/b503633j","","","0.71073","MoKα","","0.0818","0.0453","","","0.1035","0.1198","","","","","","1.007","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150161","11.4775","0.0005","11.1987","0.0005","24.918","0.001","90","","90","","90","","3202.8","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester","","- C12 H14 Cl3 N3 O5 -","- C12 H14 Cl3 N3 O5 -","- C96 H112 Cl24 N24 O40 -","8","1","","Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.","Organic & biomolecular chemistry","2005","3","12","2344","2349","10.1039/b503744a","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.54","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150162","12.9893","0.0012","22.218","0.002","5.2165","0.0005","90","","90","","90","","1505.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C11 H22 N6 O4 -","- C11 H20 N6 O4 -","- C44 H80 N24 O16 -","4","1","","Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak","Synthesis and stability of exocyclic triazine nucleosides.","Organic & biomolecular chemistry","2005","3","16","2946","2952","10.1039/b503757c","","","0.71073","MoKα","","0.0581","0.0526","","","0.1361","0.1396","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150163","15.095","0.001","10.338","0.006","11.718","0.005","90","","97.582","0.004","90","","1812.6","1.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O6 S -","- C16 H27 N O6 S -","- C64 H108 N4 O24 S4 -","4","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.123","0.0943","","","0.2759","0.295","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150164","6.8076","0.0009","9.3008","0.0012","12.201","0.0018","96.4","0.008","105.284","0.009","92.286","0.009","738.62","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 O5 S -","- C14 H22 O5 S -","- C28 H44 O10 S2 -","2","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0441","0.0368","","","0.0994","0.1012","","","","","","1.008","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150165","10.927","0.008","8.372","0.006","14.62","0.01","90","","96.444","0.014","90","","1329","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N O4 S -","- C12 H18 N O4 S -","- C48 H72 N4 O16 S4 -","4","2","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0938","0.0842","","","0.2226","0.2352","","","","","","0.93","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150166","6.9456","0.0005","8.5692","0.0005","12.8364","0.0008","95.764","0.004","92.302","0.003","113.556","0.003","694.09","0.08","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","1","0.5","","Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.","A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.","Organic & biomolecular chemistry","2005","3","17","3140","3160","10.1039/b503778f","","","0.71073","MoKα","","0.0678","0.0575","","","0.1411","0.1479","","","","","","1.079","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150167","22.3809","0.0009","17.2516","0.0008","9.034","0.001","90","","90","","90","","3488.1","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0575","","","","0.2055","","","","","","1.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150168","8.471","0.001","11.811","0.002","16.531","0.003","90","","90","","90","","1653.9","0.5","296.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.1894","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150169","9.275","0.001","13.425","0.002","7.83","0.001","106.14","0.01","114.52","0.01","71.4","0.01","828.6","0.2","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0564","","","","0.2208","","","","","","1.913","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150170","11.759","0.001","9.091","0.002","15.774","0.001","90","","103.766","0.006","90","","1637.8","0.4","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.2411","","","","","","1.173","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150171","16.378","0.0003","27.7666","0.0004","30.3256","0.0005","90","","90","","90","","13790.9","0.4","120","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C123 H193.5 O35.5 -","- C124.7 H177.6 O35.6 -","- C498.8 H710.4 O142.4 -","4","1","","Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic","A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.","Organic & biomolecular chemistry","2005","3","14","2588","2592","10.1039/b504012d","","","0.71073","MoKα","","0.1472","0.0828","","","0.2019","0.2537","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150172","5.108","0.007","5.71","0.007","14.903","0.016","79.659","0.01","81.128","0.01","89.62","0.01","422.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","1","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.067","0.052","","0.1329","0.1146","","","","1.109","1.165","1.165","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150173","5.448","0.006","11.674","0.012","14.81","0.014","79.936","0.01","79.89","0.01","85.346","0.01","911.8","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C34 H48 N4 O10 -","2","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.1709","0.0931","","","0.2465","0.2686","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150174","6.565","0.004","8.698","0.005","34.72","0.02","90","","90","","90","","1983","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.6861","synchrotron","","0.0982","0.0878","","","0.216","0.222","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150175","10.816","0.002","16.904","0.003","19.35","0.004","90","","90","","90","","3537.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C144 H184 N8 O48 -","8","2","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.71073","MoKα","","0.0647","0.04","","","0.0724","0.0789","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150176","9.408","0.009","11.05","0.01","31.83","0.03","90","","90","","90","","3309","5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Na2 O14 P -","- C24 H38 Na2 O14 P -","- C96 H152 Na8 O56 P4 -","4","1","","Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday","Micellar aggregates and hydrogels from phosphonobile salts.","Organic & biomolecular chemistry","2005","3","20","3695","3700","10.1039/b504656d","","","0.71073","MoKα","","0.0563","0.0537","","","0.1508","0.1534","","","","","","1.091","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150177","17.059","0.003","19.498","0.005","19.657","0.003","90","","90","","90","","6538","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis-tetrabutylammonium bis-dihydrogenphosphate 1-(4-nitrophenyl)-3-{2-[3-(4-nitrophenyl)ureido]-cyclohexyl}-urea acetonitrile","","- C54 H101 N9 O14 P2 -","- C54 H101 N9 O14 P2 -","- C216 H404 N36 O56 P8 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico","Chiral receptors for phosphate ions.","Organic & biomolecular chemistry","2005","3","14","2632","2639","10.1039/b504931h","","","0.71073","MoKα","","0.1662","0.0771","","","0.1864","0.2367","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150178","11.9376","0.0016","14.0036","0.0019","13.9101","0.0019","90","","107.916","0.002","90","","2212.6","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-one","","","- C22 H20 N4 O4 S2 -","- C22 H20 N4 O4 S2 -","- C88 H80 N16 O16 S8 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M; Boese, Roland","3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.","Organic & biomolecular chemistry","2005","3","14","2599","2603","10.1039/b505010c","","","0.71073","MoKα","","0.053","0.0388","","","0.1007","0.1141","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150179","10.0175","0.0008","10.0175","0.0008","21.2378","0.0013","90","","90","","120","","1845.7","0.2","225","2","225","2","","","","","","","synthesis as described","5","P 31","P 31","144","","","","- C31 H25 Cl N2 O -","- C31 H25 Cl N2 O -","- C93 H75 Cl3 N6 O3 -","3","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","x-ray","0.71073","MoKα","","0.0761","0.0387","","","0.0805","0.0905","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150180","12.2564","0.0003","12.2564","0.0003","13.4713","0.0006","90","","90","","90","","2023.65","0.11","100","","100","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.044","","","","0.093","","","","","","0.904","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150181","20.6214","0.0006","10.7987","0.0007","9.401","0.003","90","","95.972","0.003","90","","2082.1","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9- C,C,C-trifluoro-methanesulfonamide","","- C16 H26 F6 N2 O4 S2 -","- C16 H26 F6 N2 O4 S2 -","- C64 H104 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.143","","","","0.169","","","","","","1.166","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150182","14.3841","0.0002","14.3841","0.0002","13.98","0.0004","90","","90","","120","","2504.97","0.09","100","","100","","","","","","","","","6","P 32 2 1","P 32 2""","154","","(S,S) C,C,C-Trifluoro-N-(2-trifluoromethanesulfonylamino-cyclohexyl) -methanesulfonamide","","- C9.8 H12 F6 N2 O4 S2 -","- C9.59 H12 F6 N2 O4 S2 -","- C57.54 H72 F36 N12 O24 S12 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.034","","","","0.036","","","","","","1.027","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150183","11.6353","0.001","11.6353","0.001","52.806","0.009","90","","90","","120","","6191.1","1.3","100","","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(R,R) N-(1,2-Diphenyl-2-trifluoromethanesulfonylamino-ethyl)- C,C,C-trifluoro-methanesulfonamide","","- C16 H14 F6 N2 O4 S2 -","- C16 H14 F6 N2 O4 S2 -","- C192 H168 F72 N24 O48 S24 -","12","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.064","","","","0.081","","","","","","1.7","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150184","11.503","0.008","15.7","0.02","18.53","0.01","90","","92.82","0.03","90","","3342","5","100.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 F6 N2 Ni O8 S2 -","- C30 H32 F6 N2 Ni O8 S2 -","- C120 H128 F24 N8 Ni4 O32 S8 -","4","1","","Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū","A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.","Organic & biomolecular chemistry","2005","3","16","2910","2913","10.1039/b505404d","","","0.7107","MoKα","","","0.024","","","","0.03","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150185","10.055","0.002","13.297","0.002","15.802","0.003","75.124","0.001","74.149","0.002","69.449","0.001","1872.5","0.6","293","","293","","","","","","","","?","4","P -1","-P 1","2","","","","- C40 H44 Br2 O4 -","- C40 H44 Br2 O4 -","- C80 H88 Br4 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.0736","","","","0.0701","","","","","","1.0267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150186","24.088","0.001","12.665","0.001","17.274","0.001","90","","126.477","0.001","90","","4237.5","0.5","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C208 H224 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0493","","","","0.0183","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150187","14.921","0.001","18.436","0.002","19.88","0.003","90","","108.21","0.01","90","","5194.8","1.1","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 O4 -","- C64 H64 O4 -","- C256 H256 O16 -","4","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.1015","","","","0.0829","","","","","","1.0786","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150188","23.851","0.0003","12.333","0.0003","13.074","0.0004","90","","90","","90","","3845.77","0.16","200","","200","","","","","","","","?","4","P n m a","-P 2ac 2n","62","","","","- C20 H22 Br2 O2 -","- C20 H22 Br2 O2 -","- C160 H176 Br16 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0321","","","","0.0242","","","","","","1.0311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150189","13.9231","0.0001","35.1563","0.0002","25.7578","0.0002","90","","94.5875","0.0003","90","","12567.7","0.15","150","","150","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C144 H192 O12 -","- C48 H64 O4 -","- C576 H768 O48 -","12","3","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0765","","","","0.08","","","","","","1.0633","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150190","25.714","0.0004","8.002","0.0001","19.113","0.0004","90","","121.009","0.0009","90","","3370.71","0.1","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0545","","","","0.0671","","","","","","1.0196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150191","10.3974","0.0002","13.0709","0.0003","19.4131","0.0003","107.941","0.001","93.567","0.001","97.093","0.001","2476.72","0.09","150","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C56 H80 O4 -","- C56 H80 O4 -","- C112 H160 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0537","","","","0.0594","","","","","","1.0599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150192","7.707","0.0015","17.374","0.004","16.622","0.003","90","","92.17","0.03","90","","2224.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)- dithione monohydrate","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C16 H30 N2 O7 S2 -","- C16 H30 N2 O7 S2 -","- C64 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.0667","0.0452","","","0.1237","0.132","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150193","11.624","0.002","12.698","0.003","12.093","0.002","90","","109.69","0.03","90","","1680.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)- dithione) clathrate","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)-dithione) clathrate","","- C28 H44 N4 O6 S4 -","- C28 H44 N4 O6 S4 -","- C56 H88 N8 O12 S8 -","2","0.5","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1279","0.0536","","","0.1129","0.1316","","","","","","0.853","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150194","7.988","0.0016","21.627","0.004","16.439","0.003","90","","93.17","0.03","90","","2835.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C24 H42 N2 O7 S2 -","- C24 H42 N2 O7 S2 -","- C96 H168 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.2645","0.0556","","","0.0668","0.0929","","","","","","0.709","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150195","7.973","0.0016","16.918","0.003","17.566","0.004","90","","90","","90","","2369.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C20 H30 N2 O7 S2 -","- C20 H30 N2 O7 S2 -","- C80 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1051","0.0446","","","0.0805","0.0922","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150196","6.936","0.002","16.389","0.003","9.833","0.003","90","","92.78","0.03","90","","1116.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","imine","8(R),13(R),23(S),28(S)-7,14,22,29,31,32-hexaazapentacyclo [25.3.1.1^16,20^.0^8,13^.0^23,28^]-dotriconta- 1(31),2,4,6,14,16(32),17,19,21,29-decaene","","- C26 H30 N6 -","- C26 H30 N6 -","- C52 H60 N12 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","0.71073","MoKα","","0.11","0.063","","","0.1471","0.1656","","","","","","1.123","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150197","15.577","0.004","30.563","0.009","5.46","0.003","90","","90","","90","","2599.4","1.8","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","imine","8(R),13(R),23(S),28(S),38(R),43(R),53(S),58(S)- 7,14,22,29,37,44,52,59,61,62,63,64-dodecaazananocyclo [55.3.1.1^16,20^.1^31,35^.1^46,50^.0^8,13^.0^23,28^.0^38,43^.0^53,58^] -tetrahexaconta- 1(61),2,4,6,14,16(62),17,19,21,29,31(63),32,34,44,46(64),47,49,51,59 -eicosaene","","- C52 H60 N12 -","- C52 H60 N12 -","- C104 H120 N24 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","1.5418","CuKα","","0.1073","0.0655","","","0.1495","0.1754","","","","","","0.903","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150198","14.526","0.0009","7.068","0.0005","13.3397","0.0009","90","","91.506","0.001","90","","1369.11","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F2 N O4 -","- C13 H19 F2 N O4 -","- C52 H76 F8 N4 O16 -","4","1","","Griffith, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil; Uneyama, Emi","Towards novel difluorinated sugar mimetics; syntheses and conformational analyses of highly-functionalised difluorinated cyclooctenones.","Organic & biomolecular chemistry","2005","3","15","2701","2712","10.1039/b505978j","","","0.71073","MoKα","","0.0342","0.0323","","","0.0806","0.0818","","","","","","1.042","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150199","9.7709","0.0004","12.8905","0.0005","13.2494","0.0006","70.822","0.002","68.573","0.0018","76.36","0.002","1454.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-Phenyl-8-methoxy-1-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.1308","0.0641","","","0.1522","0.1759","","","","","","0.909","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150200","9.377","0.0002","9.7055","0.0002","16.7953","0.0003","90","","91.3607","0.0012","90","","1528.08","0.05","293","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(Dimethylamino)-N-phenyl-1-naphthamide","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0449","","","0.1189","0.1259","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150201","9.8308","0.0002","9.664","0.0003","12.0688","0.0003","85.4547","0.0015","68.6506","0.0014","78.8152","0.0015","1047.58","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(8-Dimethylamino-1-naphthoyl)-N,N-diphenylurea","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C52 H46 N6 O4 -","2","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1239","0.1357","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150202","15.87","0.0003","5.4817","0.0001","28.7715","0.0008","90","","101.03","0.0008","90","","2456.73","0.09","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(8-Dimethylaminonaphth-1-yl)-2-nitroethene","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0739","0.0482","","","0.117","0.1271","","","","","","0.99","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150203","10.3347","0.0003","7.0992","0.0002","18.2556","0.0005","90","","102.897","0.002","90","","1305.59","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(8-Dimethylaminonaphth-1-yl)-2-nitropropene","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0497","","","0.1579","0.1664","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150204","7.7283","0.0002","13.6696","0.0004","15.7465","0.0006","90","","95.5779","0.0012","90","","1655.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Dimethylbenzo(cd)indolium-2-benzoylnitromethide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0681","0.0471","","","0.1159","0.1248","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150205","16.1362","0.0014","17.4816","0.0016","30.711","0.003","77.635","0.002","75.632","0.002","65.267","0.002","7562.2","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C172.23 H106 Cl3.11 F12 N6 O15 P2 Ru -","- C172.355 H106 Cl3.058 F12 N6 O15 P2 Ru -","- C344.71 H212 Cl6.116 F24 N12 O30 P4 Ru2 -","2","1","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1317","0.098","","","0.2824","0.3071","","","","","","1.088","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150206","23.3906","0.0005","11.4829","0.0002","23.2945","0.0006","90","","90","","90","","6256.7","0.2","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 Fe N6 O5 P2 -","- C66 H62 F12 Fe N6 O5 P2 -","- C264 H248 F48 Fe4 N24 O20 P8 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1491","0.0751","","","0.1913","0.2337","","","","","","1.021","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150207","23.1733","0.0003","11.9603","0.0001","22.8083","0.0003","90","","90","","90","","6321.54","0.13","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 N6 O5 P2 Ru -","- C66 H62 F12 N6 O5 P2 Ru -","- C264 H248 F48 N24 O20 P8 Ru4 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1664","0.1893","","","","","","1.044","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150208","10.8116","0.0001","11.8065","0.0001","40.9023","0.0004","90","","91.049","0.0004","90","","5220.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Fe N2 O4 -","- C20 H28 Fe N2 O4 -","- C200 H280 Fe10 N20 O40 -","10","2.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0767","0.0476","","","0.1013","0.1136","","","","","","1.022","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150209","15.479","0.0003","9.342","0.0003","11.04","0.0003","90","","117.071","0.002","90","","1421.54","0.07","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0432","0.0346","","","0.0717","0.0753","","","","","","1.069","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150210","15.49","0.003","9.339","0.0019","11.036","0.002","90","","117.09","0.03","90","","1421.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0488","0.0393","","","0.0755","0.081","","","","","","1.058","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150211","14.5548","0.0002","7.2083","0.0001","17.2662","0.0004","90","","103.938","0.001","90","","1758.15","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.067","0.0432","","","0.1058","0.1167","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150212","21.854","0.012","10.992","0.005","7.77","0.01","90","","90.01","0.07","90","","1867","3","160","2","160","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.1357","0.066","","","0.1564","0.1887","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150213","8.6059","0.0001","11.6484","0.0001","25.9199","0.0003","90","","90","","90","","2598.34","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0417","0.0322","","0.047","0.0381","0.0381","","","","","","1.1199","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150214","9.4415","0.0001","15.0875","0.0002","18.297","0.0003","90","","90","","90","","2606.38","0.06","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0444","0.0379","","0.0501","0.0442","0.0442","","","","","","1.1113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150215","10.0421","0.0002","9.1315","0.0002","25.1731","0.0008","90","","95.1151","0.0009","90","","2299.17","0.1","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","","0.0873","","","","0.0784","","","","","","1.0124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150216","10.54","0.02","25.92","0.02","16.25","0.01","90","","100.15","0.02","90","","4370","9","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0437","","","","0.1093","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150217","11.977","0.003","24.465","0.006","12.25","0.004","90","0.002","110.328","0.002","90","0.002","3365.9","1.6","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 O2 -","- C48 H30 O2 -","- C192 H120 O8 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.062","","","","0.164","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150218","18.425","0.007","34.5","0.01","10.674","0.004","90","0.002","115.457","0.003","90","0.002","6126","4","293.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H42 Cl12 O4 Sb2 -","- C52 H42 Cl12 O4 Sb2 -","- C208 H168 Cl48 O16 Sb8 -","4","0.5","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0542","","","","0.1598","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150219","11.219","0.004","12.48","0.005","16.557","0.007","86.02","0.01","89.83","0.01","64.63","0.01","2088.7","1.4","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 Cl6 O3 -","- C50 H32 Cl6 O3 -","- C100 H64 Cl12 O6 -","2","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0676","","","","0.1756","","","","","","1.357","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150220","57.17","0.01","35.88","0.009","10.483","0.003","90","","90","","90","","21503","9","153.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C49.5 H30 Cl15 O2 Sb2 -","- C49.5 H30 Cl15 O2 Sb2 -","- C792 H480 Cl240 O32 Sb32 -","16","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.056","","","","0.2134","","","","","","0.451","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150221","14.9686","0.0005","17.0315","0.0008","24.6488","0.0011","102.373","0.005","91.482","0.005","107.245","0.005","5835.1","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H138 N8 O17 -","- C120 H138 N8 O17 -","- C240 H276 N16 O34 -","2","1","","Ghosh, Pradyut; Federwisch, Guido; Kogej, Michael; Schalley, Christoph A.; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Gschwind, Ruth M.","Controlling the rate of shuttling motions in [2]rotaxanes by electrostatic interactions: a cation as solvent-tunable brake.","Organic & biomolecular chemistry","2005","3","15","2691","2700","10.1039/b506756a","","","0.71073","MoKα","","0.2041","0.1215","","","0.3191","0.3678","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150222","10.805","0.002","10.863","0.002","19.502","0.004","90","","90","","90","","2289","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N3 -","- C12 H19 N3 -","- C96 H152 N24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1854","0.128","","","0.1902","0.2049","","","","","","1.259","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150223","10.0306","0.0011","13.513","0.0013","14.3379","0.0015","108.817","0.005","104.119","0.015","103.132","0.006","1682","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Revised CIF","","","- C33.33 H37.33 Cl N3 O6 S3 -","- C33.33 H37 Cl0.99 N3 O6 S3 -","- C66.66 H74 Cl1.98 N6 O12 S6 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1009","0.0619","","","0.1396","0.1598","","","","","","1.033","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150224","8.7647","0.0004","11.2725","0.0006","12.7812","0.0008","82.1469","0.0024","71.7511","0.0023","69.0389","0.0032","1119.48","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl3 N3 O13 -","- C14 H28 Cl3 N3 O13 -","- C28 H56 Cl6 N6 O26 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0841","0.0662","","","0.1489","0.1571","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150225","16.6393","0.0008","12.0999","0.0007","18.0854","0.0011","90","","115.568","0.0028","90","","3284.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N3 O6 S3 -","- C35 H41 N3 O6 S3 -","- C140 H164 N12 O24 S12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1006","0.0549","","","0.1075","0.1234","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150226","11.0558","0.0005","11.6209","0.0005","15.1984","0.0007","90","","107.842","0.0026","90","","1858.75","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Br3 N3 -","- C14 H26 Br3 N3 -","- C56 H104 Br12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0811","0.0555","","","0.1253","0.1371","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150227","9.5996","0.0003","10.1003","0.0004","17.1572","0.0006","90","","93.8496","0.002","90","","1659.79","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl3 N3 -","- C14 H26 Cl3 N3 -","- C56 H104 Cl12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.043","0.0313","","","0.0645","0.0681","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150228","5.4382","0.0003","16.5549","0.0009","19.6525","0.0013","90","","91.581","0.002","90","","1768.62","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F5 N3 O -","- C14 H29 F5 N3 O -","- C56 H116 F20 N12 O4 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2775","0.0713","","","0.1104","0.1605","","","","","","0.886","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150229","12.5482","0.0008","14.9721","0.0011","17.298","0.0014","90","","91.7346","0.0029","90","","3248.3","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N4 -","- C16 H28 N4 -","- C128 H224 N32 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1595","0.0572","","","0.1109","0.1485","","","","","","0.957","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150230","14.893","0.0004","18.055","0.0006","10.0567","0.0009","90","","90","","90","","2704.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H34 Br Cl3 N4 O13 -","- C16 H32 Br Cl3 N4 O13 -","- C64 H128 Br4 Cl12 N16 O52 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1153","0.0922","","","0.1944","0.2047","","","","","","1.137","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150231","11.8732","0.0012","13.1219","0.001","15.1537","0.0011","88.4512","0.0067","86.6823","0.0059","68.4241","0.0061","2191.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O8 S4 -","- C44 H52 N4 O8 S4 -","- C88 H104 N8 O16 S8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1759","0.0988","","","0.1352","0.1583","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150232","21.1345","0.0008","11.3695","0.0005","19.3298","0.0007","90","","111.385","0.004","90","","4324.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L3-HF","","","- C16 H39 F5 N4 O3 -","- C16 H38.79 F4.79 N4 O3 -","- C128 H310.32 F38.32 N32 O24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1535","0.0523","","","0.084","0.1087","","","","","","0.929","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150233","9.4815","0.0008","11.0386","0.001","11.4504","0.001","88.5738","0.0023","68.2659","0.0019","86.0713","0.0022","1110.62","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Br4 N4 -","- C16 H32 Br4 N4 -","- C32 H64 Br8 N8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.235","0.1621","","","0.2677","0.3011","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150234","29.725","0.003","6.348","0.0007","22.054","0.003","90","","93.999","0.004","90","","4151.3","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Revised CIF","","","- C14 H30 Cl4 N4 O1.5 -","- C14 H30 Cl4 N4 O1.5 -","- C112 H240 Cl32 N32 O12 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1095","0.0457","","","0.0864","0.1099","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150235","10.0881","0.001","30.6387","0.0009","15.8038","0.001","90","","94.292","0.003","90","","4871","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 N4 O8 S4 -","- C44 H50 Cl3.98 N4 O8 S4 -","- C176 H200 Cl15.92 N16 O32 S16 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0982","0.0526","","","0.111","0.1294","","","","","","1.022","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150236","33.7945","0.0018","11.5702","0.0008","15.8028","0.0009","90","","103.859","0.005","90","","5999.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 I7 N5 -","- C16 H34 I7 N5 -","- C128 H272 I56 N40 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.133","0.0555","","","0.1082","0.1306","","","","","","1.011","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150237","8.4897","0.0009","11.1914","0.0011","14.9026","0.001","82.7077","0.0064","81.8566","0.0054","69.501","0.0058","1308.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 Br5 N5 O2 -","- C16 H34 Br5 N5 O2 -","- C32 H68 Br10 N10 O4 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0987","0.0707","","","0.1473","0.1597","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150238","10.5378","0.0008","11.8423","0.0006","20.8415","0.0012","81.0248","0.0041","78.1161","0.0036","87.7689","0.0035","2513.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","CIF","","","- C16 H39 Cl5 N5 O2.5 -","- C16 H36 Cl5 N5 O2.5 -","- C64 H144 Cl20 N20 O10 -","4","2","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1771","0.1078","","","0.1783","0.2058","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150239","9.862","0.002","10.525","0.002","12.113","0.002","97.654","0.002","100.99","0.002","103.968","0.003","1176.4","0.4","120","2","173","2","","","","","","","","5","P -1","-P 1","2","2,5,8,11,14-pentazaz(15)metacyclophane pentahydrochloride monohydrate","2,5,8,11,14-pentazaz[15]metacyclophane pentahydrochloride monohydrate","","- C16 H38 Cl5 N5 O -","- C16 H32 Cl5 N5 O -","- C32 H64 Cl10 N10 O2 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0655","0.0434","","","0.093","0.1029","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150240","13.925","0.002","16.012","0.002","22.88","0.002","90","","98.651","0.008","90","","5043.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","l5-tS5","","","- C51 H59 N5 O10 S5 -","- C51 H59 N5 O10 S5 -","- C204 H236 N20 O40 S20 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2499","0.187","","","0.294","0.3184","","","","","","1.319","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150241","9.319","0.002","12.579","0.003","27.029","0.007","90","","90","","90","","3168.4","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C120 H168 F16 N8 O40 -","8","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0395","0.0338","","","0.082","0.0849","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150242","10.4325","0.0007","11.7993","0.0008","14.7171","0.001","90","","92.051","0.001","90","","1810.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O5 S -","- C18 H19 F2 N O5 S -","- C72 H76 F8 N4 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0443","0.0386","","","0.1049","0.1079","","","","","","1.051","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150243","9.9999","0.0005","8.3226","0.0004","19.8738","0.001","90","","94.609","0.001","90","","1648.65","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F2 O6 S -","- C17 H16 F2 O6 S -","- C68 H64 F8 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0336","0.0309","","","0.0796","0.0816","","","","","","1.053","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150244","8.806","0.002","22.25","0.006","11.795","0.003","90","","98.871","0.004","90","","2283.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F2 N O6 S -","- C21 H27 F2 N O6 S -","- C84 H108 F8 N4 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0485","0.0406","","","0.1051","0.1097","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150245","17.875","0.003","6.5609","0.0012","15.029","0.003","90","","93.158","0.003","90","","1759.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F2 O5 S -","- C18 H20 F2 O5 S -","- C72 H80 F8 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0929","0.0611","","","0.1416","0.1545","","","","","","1.054","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150246","10.5327","0.0018","11.552","0.002","16.158","0.003","75.465","0.003","71.827","0.003","68.79","0.003","1720.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 F2 O4 -","- C18 H22 F2 O4 -","- C72 H88 F8 O16 -","4","2","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0459","0.0381","","","0.0923","0.0968","","","","","","1.019","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150247","14.113","0.001","12.461","0.001","8.528","0.001","90","","90","","90","","1499.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Adler, Thomas; Bonjoch, Josep; Clayden, Jonathan; Font-Bardía, Mercè; Pickworth, Mark; Solans, Xavier; Solé, Daniel; Vallverdú, Lluís","Slow interconversion of enantiomeric conformers or atropisomers of anilide and urea derivatives of 2-substituted anilines.","Organic & biomolecular chemistry","2005","3","17","3173","3183","10.1039/b507202f","","","0.71069","MoKα","","0.0471","0.0389","","","0.0889","0.0945","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150248","9.7073","0.0014","10.569","0.0014","10.9986","0.0015","92.126","0.011","109.791","0.01","101.734","0.011","1032.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0674","0.0434","","","0.1031","0.1098","","","","","","0.972","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150249","11.4637","0.0008","18.3534","0.0012","19.8397","0.0014","74.256","0.005","85.809","0.006","83.824","0.005","3990.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Cl N4 O8.5 -","- C41 H43 Cl N4 O8.5 -","- C164 H172 Cl4 N16 O34 -","4","2","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0916","0.0753","","","0.2126","0.226","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150250","10.3157","0.0011","12.4728","0.0012","17.753","0.002","99.611","0.008","103.81","0.008","99.245","0.008","2138.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C92 H96 N8 O16 -","2","1","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0964","0.0661","","","0.1962","0.2161","","","","","","0.971","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150251","10.4041","0.0019","10.6679","0.0019","11.557","0.002","105.672","0.014","91.147","0.015","108.061","0.014","1166.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.1132","0.0983","","","0.316","0.3313","","","","","","1.222","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150252","7.6807","0.0001","13.2365","0.0001","24.25","0.0003","90","","93.2","0.001","90","","2461.55","0.05","100","","100","","","","","","","","solvent","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 -","- C32 H34 -","- C128 H136 -","4","1","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","1.54178","CuKα","","0.0431","0.0424","","","0.1072","0.1078","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150253","26.1849","0.0006","15.839","0.0004","10.076","0.0002","90","","103.728","0.001","90","","4059.57","0.16","100","","100","","","","","","","","deuterated THF","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 -","- C52 H58 -","- C208 H232 -","4","0.5","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","0.71073","MoKα","","0.0946","0.0636","","","0.1381","0.1529","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150254","8.7805","0.0017","9.1484","0.0019","13.906","0.003","79.21","0.017","87.892","0.017","84.473","0.016","1092","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6,8-Dichloro-7-methyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-methyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C5 H3 Cl2 N S5 -","- C5 H3 Cl2 N S5 -","- C20 H12 Cl8 N4 S20 -","4","2","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0673","0.0384","","","0.0968","0.1022","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150255","8.7306","0.0012","9.4354","0.0013","16.064","0.002","90","","93.761","0.003","90","","1320.4","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6,8-Dichloro-7-t-butyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-t-butyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C8 H9 Cl2 N S5 -","- C8 H9 Cl2 N S5 -","- C32 H36 Cl8 N4 S20 -","4","1","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0416","0.0362","","","0.0841","0.0876","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150256","7.569","0.004","18.652","0.002","8.388","0.002","90","","103.69","0.03","90","","1150.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0555","0.0358","","","0.0944","0.0996","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150257","19.225","0.008","10.95","0.004","6.047","0.009","90","","90","","90","","1273","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0614","0.0483","","","0.1457","0.154","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150260","7.6162","0.0005","9.1924","0.0005","10.6592","0.0006","107.647","0.001","97.265","0.001","110.172","0.001","644.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N O5 S -","- C12 H11 N O5 S -","- C24 H22 N2 O10 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0417","0.0379","","","0.1069","0.1104","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150261","8.0512","0.0014","8.7739","0.0016","11.745","0.002","91.894","0.003","105.771","0.003","90.555","0.003","797.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N O7 S -","- C13 H14 Cl N O7 S -","- C26 H28 Cl2 N2 O14 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0639","0.0425","","","0.1046","0.1219","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150262","14.153","0.001","14.153","","25.881","0.002","90","","90","","120","","4489.6","0.5","296.2","","296.2","","","","","","","","","5","P 61","P 61","169","","","","- C27 H33 Cl O9 Si -","- C27 H32 Cl O9 Si -","- C162 H192 Cl6 O54 Si6 -","6","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0907","","","0.0954","","","","","2.499","2.499","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7150263","14.792","0.002","28.3","0.004","8.5666","0.0009","90","","90","","90","","3586.1","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O10 Si -","- C35 H44 O10 Si -","- C140 H176 O40 Si4 -","4","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0484","","","0.0602","","","","","2.173","2.173","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150264","7.6072","0.0017","24.695","0.004","11.851","0.003","90","","108.06","0.03","90","","2116.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Anilino-6-(N-tert-butyloxycarbonylmethylanilino)-3-nitropyridine","","- C23 H24 N4 O4 -","- C23 H24 N4 O4 -","- C92 H96 N16 O16 -","4","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0595","0.037","","","0.08","0.0849","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150265","10.113","0.002","12.417","0.003","14.105","0.003","107.48","0.03","95.21","0.03","102.18","0.03","1628.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Anilino-2-(N-methylanilino)-3-nitropyridine","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","2","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0774","0.0415","","","0.087","0.0966","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150266","8.5952","0.0016","9.79","0.002","13.308","0.002","72.57","0.02","83.91","0.02","75.36","0.02","1033.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Anilino-6-(N-tert-bytyloxycarbonylanilino)-3-nitropyridine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0588","0.0401","","","0.1023","0.109","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150267","9.1402","0.0017","12.351","0.002","15.852","0.003","90","","97.942","0.003","90","","1772.4","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O3 Pd S -","- C15 H17 F3 N2 O3 Pd S -","- C60 H68 F12 N8 O12 Pd4 S4 -","4","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.046","0.03","","","0.0601","0.0649","","","","","","1.041","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150268","9.5463","0.0018","16.258","0.004","18.117","0.004","90","","90","","90","","2811.8","1.1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 Pd -","- C14 H17 Cl N2 Pd -","- C112 H136 Cl8 N16 Pd8 -","8","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.0577","0.0329","","","0.0595","0.0641","","","","","","0.928","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150269","29.189","0.0014","4.9244","0.0003","19.8157","0.0011","90","","123.921","0.002","90","","2363.5","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0782","0.0483","","0.0712","0.0599","0.0599","","","","","","1.0723","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150270","19.4765","0.0003","9.6966","0.0002","21.0587","0.0004","90","","94.5151","0.0008","90","","3964.72","0.13","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O2 -","- C23 H32 O2 -","- C184 H256 O16 -","8","2","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0853","0.0432","","0.0695","0.0524","0.0524","","","","","","1.1038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150271","8.8435","0.0003","13.404","0.0005","10.6982","0.0003","90","","105.571","0.0018","90","","1221.6","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","alboatrin","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0569","0.0378","","0.0544","0.0498","0.0498","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150272","16.999","0.005","11.735","0.008","17.495","0.01","90","","112.405","0.017","90","","3227","3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 O8 -","- C36 H44 O8 -","- C144 H176 O32 -","4","1","","Larsen, Lesley; Benn, Michael H.; Parvez, Masood; Perry, Nigel B.","A cytotoxic triketone-phloroglucinol-bullatenone hybrid from Lophomyrtus bullata.","Organic & biomolecular chemistry","2005","3","17","3236","3241","10.1039/b509076h","","","0.71073","MoKα","","0.122","0.061","","","0.145","0.177","","","","","","1.02","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150273","25.41","0.03","5.071","0.007","15.318","0.017","90","","106.77","0.01","90","","1890","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H54 N4 O10 S2 -","- C30 H54 N4 O10 S2 -","- C60 H108 N8 O20 S4 -","2","0.5","","Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam","The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.","Organic & biomolecular chemistry","2005","3","19","3502","3507","10.1039/b509083k","","","0.71073","MoKα","","0.0927","0.0807","","","0.1717","0.1785","","","","","","1.176","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150274","9.934","0.004","5.408","0.002","22.042","0.001","90","","96.59","0.01","90","","1176.3","0.6","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","idoazeridine","idoazeridine","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C52 H62 N2 O12 -","2","1","","Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.","Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.","Organic & biomolecular chemistry","2005","3","20","3720","3726","10.1039/b509216g","","","0.71073","MoKα","","0.0814","0.0631","","","0.1485","0.1554","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150275","9.3831","0.0008","9.6997","0.0009","10.247","0.0009","117.46","0.002","95.447","0.001","106.754","0.001","763.39","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.1246","0.0619","","","0.1297","0.1559","","","","","","1.01","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150276","8.8583","0.0005","9.1667","0.0005","15.4654","0.0004","88.41","0.001","80.604","0.003","65.605","0.003","1127.25","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C52 H70 O6 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.0778","0.0467","","","0.1298","0.1551","","","","","","0.983","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150277","8.72","0.005","12.944","0.009","8.918","0.005","90","0.02","100.47","0.04","90","0.03","989.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","1.5418","CuKα","","0.0814","0.0606","","","0.1554","0.1744","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150278","9.932","0.0005","11.5642","0.0006","14.7502","0.0004","90","","90","","90","","1694.14","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0532","0.0383","","","0.0887","0.0967","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150279","9.9622","0.0003","11.5421","0.0003","14.9696","0.0003","90","","90","","90","","1721.28","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0487","0.0404","","","0.0953","0.1001","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150280","10.8751","0.0003","13.6785","0.0004","16.9532","0.0004","74.165","0.002","75.054","0.002","69.839","0.001","2239.71","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C27 H30 O2 S -","- C27 H30 O2 S -","- C108 H120 O8 S4 -","4","2","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0698","0.0448","","","0.0976","0.109","","","","","","1.044","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150281","21.1744","0.0009","21.1744","0.0009","9.5008","0.0006","90","","90","","90","","4259.7","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C24 H32 O2 S -","- C24 H32 O2 S -","- C192 H256 O16 S8 -","8","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.1263","0.0684","","","0.1453","0.178","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150282","25.1991","0.0004","8.6736","0.0002","12.6158","0.0002","90","","90","","90","","2757.4","0.09","150","","150","","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.0612","0.0337","","0.0596","0.0381","0.0381","","","","","","1.1219","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150283","9.6741","0.0002","12.6292","0.0002","13.1081","0.0002","65.7093","0.001","71.7542","0.0009","83.9297","0.0007","1385.83","0.04","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","1","0.5","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.1081","0.0526","","0.094","0.0611","0.0611","","","","","","1.1089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150284","17.771","0.005","10.833","0.002","15.115","0.004","90","","124.564","0.018","90","","2396.2","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,4'-dihydroxybenzil","","","- C14 H10 O4 -","- C14 H10 O4 -","- C112 H80 O32 -","8","1","","Lion, Cedric J.; Vasselin, David A.; Schwalbe, Carl H.; Matthews, Charles S.; Stevens, Malcolm F. G.; Westwell, Andrew D.","Novel reaction products from the hypervalent iodine oxidation of hydroxylated stilbenes and isoflavones.","Organic & biomolecular chemistry","2005","3","21","3996","4001","10.1039/b510240e","","","0.71073","MoKα","","0.07","0.0435","","","0.1113","0.1268","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150285","8.7617","0.0012","12.4255","0.0016","37.845","0.005","90","","94.123","0.003","90","","4109.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O3 S -","- C20 H19 Cl2 N O3 S -","- C160 H152 Cl16 N8 O24 S8 -","8","2","","Zhao, Gui-Ling; Shi, Min","Baylis-Hillman reactions of N-tosyl aldimines and aryl aldehydes with 3-methylpenta-3,4-dien-2-one.","Organic & biomolecular chemistry","2005","3","20","3686","3694","10.1039/b510572b","","","0.71073","MoKα","","0.1297","0.0653","","","0.1469","0.177","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150286","7.7703","0.0001","20.6759","0.0003","11.1315","0.0002","90","","95.594","0.001","90","","1779.85","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-Pyrrolidino)-(2,3,5,6-tetrachloropyridin-4-yl)- pyridinium tetrafluoroborate","1-(4-Pyrrolidino)-[2,3,5,6-tetrachloropyridin-4-yl]-pyridinium tetrafluoroborate","","- C14 H12 B Cl4 F4 N3 -","- C14 H12 B Cl4 F4 N3 -","- C56 H48 B4 Cl16 F16 N12 -","4","1","","Schmidt, Andreas; Mordhorst, Thorsten; Nieger, Martin","From uncharged to decacationic molecules: syntheses and spectroscopic properties of heteroarenium-substituted pyridines.","Organic & biomolecular chemistry","2005","3","20","3788","3793","10.1039/b510627c","","","0.71073","MoKα","","0.0392","0.032","","","0.0798","0.0831","","","","","","1.049","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150287","10.244","0.002","13.92","0.003","13.155","0.003","90","","92.4243","0.0017","90","","1874.2","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","","Palmer, Francine N.; Lach, Franck; Poriel, Cyril; Pepper, Adrian G.; Bagley, Mark C.; Slawin, Alexandra M. Z.; Moody, Christopher J.","The diazo route to diazonamide A: studies on the tyrosine-derived fragment.","Organic & biomolecular chemistry","2005","3","20","3805","3811","10.1039/b510653b","","","0.71073","MoKα","","0.0471","0.0367","","","0.0886","0.0937","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150288","8.418","0.003","13.169","0.009","15.523","0.013","90","","90","","90","","1721","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","","- C18 H26 Se -","- C18 H26 Se -","- C72 H104 Se4 -","4","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","1.5418","CuKα","","0.0302","0.0295","","","0.0741","0.0748","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150289","7.325","0.002","8.283","0.003","8.758","0.003","62.64","0.03","84.18","0.03","67.59","0.03","434.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,4,5,6,7,10,11,12-octamethyltricyclo(7.3.0.0)-2,8- diselenadodeca-3,5,9,11-tetraene","1,4,5,6,7,10,11,12-octamethyltricyclo[7.3.0.0]- 2,8-diselenadodeca-3,5,9,11-tetraene","","- C9 H12 Se -","- C9 H12 Se -","- C18 H24 Se2 -","2","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","0.71069","MoKα","","0.076","0.0489","","","0.112","0.1201","","","","","","1.154","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150290","6.7593","0.0005","7.8597","0.0006","18.4268","0.0014","90","","90.99","0.004","90","","978.8","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Basak, Amit; Ghosh, Subhash C.; Das, Amit K.; Bertolasi, Valerio","A novel azetidinyl gamma-lactam based peptide with a preference for beta-turn conformation.","Organic & biomolecular chemistry","2005","3","22","4050","4052","10.1039/b511029g","","","0.71073","MoKα","","0.1237","0.0517","","","0.1133","0.1422","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150291","10.712","","13.782","","14.26","","90","","90","","90","","2105.24","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Mitjans, David","Kinetic and thermodynamic stereocontrol in the atroposelective formation of sulfoxides by oxidation of 2-sulfanyl-1-naphthamides.","Organic & biomolecular chemistry","2005","3","21","3898","3904","10.1039/b511452g","","","0.71069","MoKα","","0.0328","0.0314","","","0.0877","0.089","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150292","9.413","0.0019","10.281","0.002","11.618","0.002","101.32","0.03","109.63","0.03","112.28","0.03","909.9","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shinkevich, Ekaterina Yu; Vidovic, Denis","Selective transannular ring transformations in azirino-fused eight-membered O,N- or S,N-heterocycles.","Organic & biomolecular chemistry","2005","3","22","4040","4042","10.1039/b512409c","","","0.71073","MoKα","","0.0616","0.0446","","","0.111","0.1196","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150293","9.8194","0.0002","20.3687","0.0009","10.7783","0.0004","90","","116.445","0.002","90","","1930.18","0.12","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0758","0.0472","","0.1615","0.1114","","","","1.042","1.098","1.098","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150294","6.4142","0.0004","13.0225","0.0013","12.6626","0.0012","90","","91.031","0.005","90","","1057.52","0.16","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O9 -","- C21 H27 N O9 -","- C42 H54 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0857","0.0694","","","0.1661","0.176","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150295","6.8253","0.0002","12.1456","0.0006","15.2031","0.0012","113.501","0.002","93.419","0.003","92.824","0.005","1150.02","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H28 Cl N O9 -","- C21.5 H28 Cl N O9 -","- C43 H56 Cl2 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0932","0.0541","","","0.1142","0.131","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150296","12.0281","0.0006","17.769","0.0009","14.0771","0.0005","90","","114.804","0.003","90","","2731.1","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C128 H128 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.079","0.0519","","","0.1151","0.1281","","","","","","1.015","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150297","6.6987","0.0003","13.8444","0.0007","14.0583","0.0007","105.07","0.002","101.138","0.003","95.648","0.003","1219.91","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Cl2 O9 -","- C22 H30 Cl2 O9 -","- C44 H60 Cl4 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0878","0.0522","","","0.1191","0.1345","","","","","","1.04","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150298","14.6048","0.0006","7.954","0.0004","19.9249","0.0009","90","","99.051","0.003","90","","2285.79","0.18","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O9 -","- C23 H29 N O9 -","- C92 H116 N4 O36 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1226","0.0524","","0.1746","0.108","","","","1.012","1.14","1.14","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150299","10.4467","0.0003","11.4334","0.0004","18.614","0.0007","90","","91.264","0.002","90","","2222.74","0.13","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O10 -","- C21 H30 O10 -","- C84 H120 O40 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0877","0.0497","","0.1639","0.1135","","","","1.049","1.116","1.116","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150300","9.2857","0.0003","10.4352","0.0003","21.127","0.0008","90","","90","","90","","2047.17","0.12","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0955","0.0685","","","0.1884","0.2063","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150301","19.0707","0.0007","13.0777","0.0003","27.3853","0.0011","90","","90","","90","","6829.9","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C256 H336 N16 O112 -","16","2","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1362","0.0546","","0.1867","0.1189","","","","1.013","1.139","1.139","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150302","14.2904","0.0008","10.495","0.0006","11.2184","0.0004","90","","108.84","0.003","90","","1592.37","0.14","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O7 -","- C14 H23 N O7 -","- C56 H92 N4 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0923","0.0498","","0.187","0.1305","","","","1.068","1.119","1.119","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150303","7.9383","0.0002","14.4423","0.0003","15.4979","0.0004","90","","90","","90","","1776.79","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1015","0.1075","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150304","8.5902","0.0002","10.0809","0.0002","16.5589","0.0004","90","","90","","90","","1433.95","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0419","0.0357","","","0.0792","0.0828","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150305","10.4635","0.0003","9.3926","0.0002","10.5987","0.0003","90","","111.888","0.001","90","","966.55","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27.5 Br O6.25 -","- C17 H27 Br O6.25 -","- C34 H54 Br2 O12.5 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0738","0.0635","","","0.1591","0.1663","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150306","9.9656","0.0007","17.1331","0.0013","8","0.0004","90","","100.757","0.004","90","","1341.93","0.16","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0506","0.0367","","0.145","0.0835","","","","1.073","1.088","1.088","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150307","8.9592","0.0007","9.2569","0.0006","15.3512","0.0011","79.472","0.001","83.129","0.001","69.351","0.001","1169.19","0.15","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Mitchell, Judith M.; Finney, Nathaniel S.","Synthetic studies of pseurotin A: preparation of an advanced lactam aldehyde intermediate.","Organic & biomolecular chemistry","2005","3","23","4274","4281","10.1039/b512701g","","","0.71073","MoKα","","0.0713","0.0596","","","0.1529","0.1614","","","","","","1.057","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150308","15.3223","0.0004","12.7909","0.0003","14.0095","0.0005","90","","104.82","0.0012","90","","2654.34","0.13","150","","150","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0952","0.0509","","0.1048","0.0508","0.0508","","","","","","1.0101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150309","9.6597","0.0002","14.5094","0.0002","17.0652","0.0003","90","","95.093","0.0006","90","","2382.35","0.07","190","","190","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0613","0.0413","","0.0644","0.0507","0.0507","","","","","","1.0614","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150310","11.608","0.0003","17.2569","0.0005","17.9855","0.0005","90","","103.702","0.0017","90","","3500.29","0.17","150","","150","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 -","- C46 H37 N O3 -","- C184 H148 N4 O12 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.1193","0.0463","","0.1191","0.0528","0.0528","","","","","","0.9006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150311","17.7513","0.0003","5.9105","0.0001","23.5922","0.0005","90","","96.6068","0.0009","90","","2458.83","0.08","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0723","0.0395","","0.0696","0.046","0.046","","","","","","1.0569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150312","22.3209","0.0006","5.822","0.0002","22.4854","0.0007","90","","116.634","0.0012","90","","2611.97","0.14","120","","120","","","","","","","","?","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.084","0.0396","","0.079","0.0415","0.0415","","","","","","1.0962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151345","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151346","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151347","23.051","0.001","7.509","0.001","7.739","0.001","90","","90","","90","","1339.5","0.3","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","clausine H","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim","First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.","Organic & biomolecular chemistry","2005","3","17","3099","3101","10.1039/b507660a","","","0.71073","MoKα","","0.0458","0.0324","","","0.0693","0.074","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151348","24.2176","0.0008","14.582","0.0005","14.204","0.0005","90","","90","","90","","5016","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","6a in paper","","","- C25 H28 Cl2 N2 O2 S -","- C25 H28 Cl2 N2 O2 S -","- C200 H224 Cl16 N16 O16 S8 -","8","2","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0688","0.0588","","","0.1529","0.1612","","","","","","1.066","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151349","11.762","0.0001","13.0069","0.0001","14.7316","0.0002","90","","97.724","0.001","90","","2233.3","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6b in paper","","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0583","0.0413","","","0.0999","0.1098","","","","","","1.032","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151350","15.6913","0.0001","16.5338","0.0002","18.142","0.0002","90","","99.574","0.001","90","","4641.15","0.08","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6c in paper?","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C216 H240 N16 O24 -","8","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1037","0.0495","","","0.1203","0.1477","","","","","","1.007","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151351","9.8924","0.0002","10.3918","0.0002","23.1132","0.0004","90","","95.472","0.001","90","","2365.21","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6e in paper","","","- C25 H26 N2 O2 S -","- C26 H32 N2 O3 S -","- C104 H128 N8 O12 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0653","0.0414","","","0.1027","0.1147","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151352","8.6239","0.0001","22.0514","0.0004","13.2225","0.0001","90","","100.164","0.001","90","","2475.05","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6f in paper","","","- C25 H28 N2 O2 S -","- C29 H26.815 N2 O2 S -","- C116 H107.26 N8 O8 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1031","0.0675","","","0.1907","0.2133","","","","","","1.038","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151353","11.5257","0.0003","12.9651","0.0004","10.7417","0.0003","90","","94.77","0.001","90","","1599.59","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6l in paper","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.046","0.0358","","","0.0893","0.0959","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151354","11.25","0.0002","11.291","0.0002","11.708","0.0002","76.459","0.001","64.71","0.001","64.809","0.001","1214.28","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C54 H52 N4 O14 -","2","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0837","0.0634","","","0.1751","0.1938","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151355","11.1011","0.0012","21.952","0.002","15.9307","0.0017","90","","103.285","0.002","90","","3778.3","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O17 -","- C39 H38 N2 O17 -","- C156 H152 N8 O68 -","4","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0958","0.0475","","","0.1027","0.1226","","","","","","1.01","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151356","10.675","0.0004","10.8521","0.0005","33.594","0.0012","90","","90","","90","","3891.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester","","","- C16 H26 N2 O9 -","- C16 H26 N2 O9 -","- C128 H208 N16 O72 -","8","1","","Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille","Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.","Organic & biomolecular chemistry","2005","3","24","4395","4401","10.1039/b513397a","","","0.71073","MoKα","","0.0788","0.0452","","","0.1168","0.1383","","","","","","1.069","","","","has coordinates","180299","2020-10-21","18:00:00",""