# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:37:03+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Tetrahedron') 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
"1100293","8.886","0.001","10.706","0.001","12.807","0.001","109.5","0.01","108.06","0.01","98.94","0.01","1045.36","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O6 W -","- C21 H19 N O6 W -","- C42 H38 N2 O12 W2 -","2","1","","Dötz, K. H.; Noack, R.; Harms, K.; Müller, G.","Carbene complexes in intramolecular Diels-Alder reactions","Tetrahedron","1990","46","4","1235","1252","10.1016/s0040-4020(01)86689-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178001","2020-10-21","18:00:00",""
"1100306","6.11","0.002","9.353","0.003","14.739","0.004","82.96","0.03","83.11","0.02","85.04","0.02","827.7","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O6 W -","- C16 H13 N O6 W -","- C32 H26 N2 O12 W2 -","2","1","","Dötz, K. H.; Noack, R.; Harms, K.; Müller, G.","Carbene complexes in intramolecular Diels-Alder reactions","Tetrahedron","1990","46","4","1235","1252","10.1016/s0040-4020(01)86689-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178001","2020-10-21","18:00:00",""
"1100366","13.098","0.001","7.615","0.001","17.463","0.001","90","","110.06","0.01","90","","1636.11","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cr O5 P -","- C15 Cr O5 P -","- C60 Cr4 O20 P4 -","4","1","","Dötz, K. H.; Tiriliomis, A.; Harms, K.","Phosphahydroquinones and oxaphospholes via carbene annulation and cycloaddition reactions of chromium carbonyl carbene complexes and phosphaalkynes","Tetrahedron","1993","49","25","5577","5597","10.1016/s0040-4020(01)87270-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178050","2020-10-21","18:00:00",""
"1100516","6.376","0.001","18.155","0.002","19.422","0.001","90","","90","","90","","2248.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178054","2020-10-21","18:00:00",""
"1100517","7.515","0.001","13.748","0.001","18.678","0.001","90","","90","","90","","1929.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178054","2020-10-21","18:00:00",""
"1100518","19.522","0.002","5.321","0.001","21.728","0.001","90","","102.53","0.01","90","","2203.27","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178054","2020-10-21","18:00:00",""
"1100527","12.116","0.002","12.443","0.001","12.749","0.001","62.66","0.01","62.74","0.01","84.28","0.01","1502.73","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","2","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100528","33.574","0.003","5.649","0.001","17.127","0.001","90","","110.41","0.01","90","","3044.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O4 -","- C16 H26 N O5 -","- C128 H208 N8 O40 -","8","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100529","8.32","0.001","7.893","0.001","12.691","0.001","90","","91.07","0.01","90","","833.27","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100530","7.984","0.001","10.045","0.001","18.978","0.002","90","","90","","90","","1522.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100535","9.772","0.001","9.876","0.001","10.106","0.001","90","","117.06","0.01","90","","868.55","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100536","6.47","0.001","13.708","0.001","17.352","0.001","90","","90","","90","","1538.96","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100537","6.373","0.001","14.8","0.001","17.892","0.001","90","","90","","90","","1687.58","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100633","12.061","0.001","14.753","0.001","5.643","0.001","90","","90","","90","","1004.09","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178051","2020-10-21","18:00:00",""
"1100634","9.75","0.002","10.525","0.002","15.035","0.003","90","","90","","90","","1542.87","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C68 H96 N8 O4 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178051","2020-10-21","18:00:00",""
"1501616","11.1911","0.0009","13.9932","0.0011","24.378","0.002","84.436","0.005","83.004","0.005","68.693","0.005","3524.4","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C84 H66 N6 O12 -","- C84 H66 N6 O12 -","- C168 H132 N12 O24 -","2","1","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0734","0.065","","","0.1447","0.1465","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501617","11.533","0.002","13.037","0.003","14.014","0.003","105.1","0.03","108.37","0.03","110.42","0.03","1703.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H80 N6 O26 -","- C70 H80 N6 O26 -","- C70 H80 N6 O26 -","1","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0602","0.0567","","","0.1321","0.1327","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501618","11.237","0.002","20.367","0.005","19.002","0.004","90","","102.048","0.011","90","","4253.1","1.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N8 O12 -","- C46 H30 N8 O12 -","- C184 H120 N32 O48 -","4","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0652","0.0568","","","0.1281","0.1292","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501619","11.18","0.02","20.59","0.03","20.07","0.04","90","","104.74","0.07","90","","4468","14","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O14 -","- C48 H36 N6 O14 -","- C192 H144 N24 O56 -","4","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.063","0.0542","","","0.1575","0.167","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501620","10.7355","0.001","13.931","0.0014","14.1161","0.0015","90","","98.039","0.006","90","","2090.4","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N6 O14 -","- C46 H36 N6 O14 -","- C92 H72 N12 O28 -","2","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0863","0.0665","","","0.1376","0.1422","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501621","11.6772","0.0013","17.9809","0.0019","11.9334","0.0013","90","","116.183","0.006","90","","2248.5","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C48 H38 N8 O14 -","- C48 H38 N8 O14 -","- C96 H76 N16 O28 -","2","1","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0838","0.0567","","","0.1329","0.1442","","","","","","1.154","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513998","11.384","0.002","17.894","0.003","11.099","0.002","90","","97.291","0.014","90","","2242.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O2 -","- C29 H28 N2 O2 -","- C116 H112 N8 O8 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.0685","0.0422","","0.1198","0.1113","","","","1.099","1.241","1.241","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514000","16.5261","0.0013","10.5956","0.0009","11.9249","0.0009","90","","92.796","0.002","90","","2085.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O -","- C26 H31 N O -","- C104 H124 N4 O4 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.1227","0.0862","","","0.2179","0.2483","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1548690","5.5228","0.0002","17.4103","0.0007","22.1641","0.001","90","","90","","90","","2131.16","0.15","","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Yulin Ren; Ulyana Munoz Acuna; Francisco Jimenez; Ricardo Garcia; Melciades Mejia; Heebyung Chai; Judith C. Gallucci; Norman R. Farnsworth; Djaja D. Soejarto; Esperanza J. Carcache de Blanco; A. Douglas Kinghorn","Cytotoxic and NF-kB inhibitory sesquiterpene lactones from Piptocoma rufescens","Tetrahedron","2012","68","","2671","2678","10.1016/j.tet.2012.01.061","","x-ray","0.8856","synchrotron","","0.0602","399","","","0.0803","0.088","","","","","","1.036","","","","has coordinates","205223","2020-10-21","18:00:00",""
"1566133","11.34175","0.00018","8.21411","0.00013","12.44906","0.00019","90","","107.158","0.0016","90","","1108.17","0.03","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0837","0.0857","","","","","","1.043","","","","has coordinates","272246","2022-01-26","12:29:17",""
"1566134","11.1281","0.0003","7.1835","0.0002","11.805","0.0003","90","","93.143","0.002","90","","942.26","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C44 H58 N2 O6 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0303","0.0287","","","0.0708","0.0719","","","","","","1.003","","","","has coordinates","272247","2022-01-26","12:30:19",""
"1566135","6.42575","0.00009","25.7445","0.0003","9.53536","0.00012","90","","105.067","0.0013","90","","1523.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H25 O4.5 -","- C16 H25 O4.5 -","- C64 H100 O18 -","4","2","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0283","0.0264","","","0.0622","0.0637","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566136","14.9664","0.0016","14.9764","0.0015","47.378","0.004","88.856","0.002","87.71","0.003","60.02","","9191.2","1.6","295","2","295","2","","","","","","","","5","P 1","P 1","1","17217z","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C360 H384 N48 O72 S24 -","24","24","","Jakkaraj, Sudhakar R.; Young, Victor G.; Georg, Gunda I.","Syntheses of PDE3A inhibitor ORG9935 and determination of the absolute stereochemistries of its enantiomers by X-ray crystallography","Tetrahedron","2018","74","22","2769","2774","10.1016/j.tet.2018.04.045","","","0.71073","MoKα","","0.0976","0.0873","","","0.2313","0.241","","","","","","1.017","","","","has coordinates","272249","2022-01-26","12:37:44",""
"1566137","11.3635","0.0006","24.9442","0.0016","10.1321","0.0005","90","","101.394","0.005","90","","2815.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 O8 S2 -","- C26 H32 B2 O8 S2 -","- C104 H128 B8 O32 S8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.0764","0.0579","","","0.1423","0.1554","","","","","","1.029","","","","has coordinates,has disorder","272250","2022-01-26","12:50:05",""
"1566138","36.788","0.003","9.326","0.001","17.102","0.001","90","","101.293","0.009","90","","5753.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H74 B4 O11 Si2 -","- C55 H74 B4 O11 Si2 -","- C220 H296 B16 O44 Si8 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0984","0.0805","","","0.2419","0.2665","","","","","","1.03","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566139","7.3773","0.0008","20.523","0.003","12.5623","0.0019","90","","102.694","0.014","90","","1855.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.1134","0.0597","","","0.0864","0.1023","","","","","","1.032","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566140","12.5963","0.0003","14.7352","0.0004","16.1555","0.0005","90","","90","","90","","2998.61","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H36 B2 O6 -","- C32 H36 B2 O6 -","- C128 H144 B8 O24 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","1.54184","CuKα","","0.1226","0.0941","","","0.2729","0.2939","","","","","","1.038","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566141","9.1909","0.0007","20.3736","0.0017","17.2816","0.0012","90","","102.298","0.007","90","","3161.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 Cl2 F3 O3 S -","- C15 H7 Cl2 F3 O3 S -","- C120 H56 Cl16 F24 O24 S8 -","8","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.1441","0.1193","","","0.3755","0.4091","","","","","","1.59","","","","has coordinates,has disorder","272250","2022-01-26","12:50:06",""
"1566142","7.4165","0.0006","10.6043","0.0007","14.6106","0.0008","90","","90.624","0.006","90","","1149.01","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O -","- C14 H8 Cl2 O -","- C56 H32 Cl8 O4 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0539","0.0401","","","0.0886","0.0953","","","","","","1.069","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566143","7.7477","0.0002","7.7582","0.0002","20.4902","0.0005","90","","108.504","0.002","90","","1167.96","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O2 -","- C14 H8 Cl2 O2 -","- C56 H32 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0396","0.0357","","","0.1171","0.1237","","","","","","0.956","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566144","7.7651","0.0005","21.4851","0.0014","7.2877","0.0004","90","","94.017","0.006","90","","1212.85","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0683","0.0624","","","0.1528","0.157","","","","","","1.121","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566145","7.2545","0.0006","7.8698","0.0006","10.9539","0.001","93.774","0.007","103.555","0.008","92.372","0.007","605.59","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C28 H20 Cl4 O4 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0618","0.0511","","","0.1175","0.1239","","","","","","1.111","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566146","6.9873","0.0004","7.9428","0.0004","11.0964","0.0006","93.205","0.004","94.213","0.004","109.868","0.005","575.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 B O3 -","- C11 H15 B O3 -","- C22 H30 B2 O6 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0554","0.0498","","","0.1523","0.1586","","","","","","1.085","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566164","8.9001","0.0004","14.5614","0.0007","17.2157","0.0008","90","","90","","90","","2231.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2-[(2R)-1-Methylpyrrolidin-2-yl]-(1R)-ferrocenyl diphenylphosphine}","","- C27 H28 Fe N P -","- C27 H28 Fe N P -","- C108 H112 Fe4 N4 P4 -","4","1","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.0597","0.0431","","","0.0884","0.0934","","","","","","1.054","","","","has coordinates","272270","2022-01-27","08:23:54",""
"1566165","7.2344","0.0001","17.3214","0.0003","22.1734","0.0005","90","","98.564","0.001","90","","2747.57","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(2R)-1-methylpyrrolidin-2-yl]- (3S)-trimethylsilyl-(1R)-ferrocenyldiphenylphosphine","","- C30 H36 Fe N P Si -","- C30 H36 Fe N P Si -","- C120 H144 Fe4 N4 P4 Si4 -","4","2","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.139","0.0791","","","0.1276","0.1506","","","","","","1.031","","","","has coordinates","272270","2022-01-27","08:24:00",""
"1566168","14.5737","0.0005","8.1812","0.0003","22.0868","0.0009","90","","96.244","0.002","90","","2617.79","0.17","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H88 Br2 Cu2 Li4 N4 O2 -","- C44 H88 Br2 Cu2 Li4 N4 O2 -","- C88 H176 Br4 Cu4 Li8 N8 O4 -","2","0.5","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","","0.71073","MoKα","","0.0627","0.0391","","","0.1061","0.1118","","","","","","0.951","","","","has coordinates","272272","2022-01-27","09:24:34",""
"1566169","12.068","0.003","5.1986","0.0015","14.465","0.003","90","","108.686","0.013","90","","859.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O -","- C12 H7 N O -","- C48 H28 N4 O4 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0734","0.0452","","","0.0996","0.1288","","","","","","1.083","","","","has coordinates","272272","2022-01-27","09:24:38",""
"1566170","15.323","0.003","3.8645","0.0007","17.224","0.003","90","","112.183","0.006","90","","944.4","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0774","0.0569","","","0.1524","0.1754","","","","","","1.054","","","","has coordinates","272272","2022-01-27","09:24:41",""
"1566171","3.7934","0.0008","20.911","0.004","10.908","0.002","90","","97.678","0.01","90","","857.5","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C11 H6 N2 O2 -","- C11 H6 N2 O2 -","- C44 H24 N8 O8 -","4","2","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0634","0.0416","","","0.0876","0.0974","","","","","","1.018","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566172","5.2623","0.0004","17.135","0.0009","12.1808","0.0009","90","","93.17","0.003","90","","1096.66","0.13","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0498","0.0397","","","0.0962","0.1034","","","","","","1.049","","","","has coordinates","272272","2022-01-27","09:25:02",""
"1566173","5.1389","0.0005","8.3386","0.0007","20.173","0.002","90","","90","","90","","864.44","0.14","150","2","150","2","","","","","","","synthesis as described","4","P c 21 b","P -2bc -2c","29","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.07","0.0645","","","0.1816","0.1856","","","","","","1.148","","","","has coordinates","272272","2022-01-27","09:25:05",""
"1566174","4.7522","0.0004","13.1688","0.0012","16.4679","0.0014","90","","96.766","0.004","90","","1023.4","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0441","0.0372","","","0.1047","0.1111","","","","","","1.073","","","","has coordinates","272272","2022-01-27","09:25:08",""
"5000234","31.551","0.005","6.219","0.007","25.35","0.003","90","","97.78","0.01","90","","4928.28","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C47 H76 O18 -","- C47 H68 O18 -","- C188 H272 O72 -","4","1","","Yasumoto, T.; Murata, M.; Oshima, Y.; Sano, M.; Matsumoto, G. K.; Clardy, J.","Diarrhetic shellfish toxins","Tetrahedron","1985","41","6","1019","1025","10.1016/S0040-4020(01)96469-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000261","10.275","0.005","9.5861","0.0029","20.446","0.012","90","","117.81","0.04","90","","1781.27","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 Br O2 -","- C17 H27 Br O2 -","- C68 H108 Br4 O8 -","4","2","","Baker, Bill; Ratnapala, Lal; Mahindaratne, M. P. D; de Silva, E. Dilip; Tillekeratne, L. M. V.; Jeong, Jeong Hwa; Scheuer, Paul J.; Seff, Karl","Lankalapuol a and b: two cis-eudesmanes from the sea hare aplysia dactylomela","Tetrahedron","1988","44","15","4695","4701","10.1016/S0040-4020(01)86172-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000269","9.584","0.003","9.584","0.003","18.996","0.003","90","","90","","90","","1744.84","","","","","","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H19 Br2 Cl O2 -","- C15 H19 Br2 Cl O2 -","- C60 H76 Br8 Cl4 O8 -","4","1","","Letizia Ciavatta, Maria; Gavagnin, Margherita; Puliti, Raffaella; Cimino, Guido; Martínez, Eugenia; Ortea, Jesús; Andrea Mattia, Carlo","Dactylallene: A novel dietary C~15~ bromoallene from the Atlantic anaspidean mollusc Aplysia dactylomela","Tetrahedron","1997","53","51","17343","17350","10.1016/S0040-4020(97)10158-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""