# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:47:31+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 'Beilstein journal of organic chemistry') AND volume = 7 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
"4029732","6.8215","0.0001","13.434","0.0003","17.9267","0.0004","90","","90","","90","","1642.8","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 Si -","- C18 H22 O2 Si -","- C72 H88 O8 Si4 -","4","1","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.0427","0.0291","","0.0573","0.0342","0.0342","","","","","","0.7515","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029733","8.855","0.004","28.605","0.014","11.19","0.005","90","","96.194","0.007","90","","2818","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 Si2 -","- C18 H22 O2 Si2 -","- C108 H132 O12 Si12 -","6","3","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.17","0.0346","","0.0663","0.0267","0.0267","","","","","","0.8073","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029738","8.806","0.0009","17.5089","0.0012","11.1635","0.0011","90","","111.693","0.012","90","","1599.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 N6 Na2 -","- C28 H52 N6 Na2 -","- C56 H104 N12 Na4 -","2","0.5","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.085","0.0471","","","0.1052","0.1133","","","","","","0.905","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029739","9.3229","0.0002","20.0052","0.0004","26.2813","0.0006","86.732","0.002","82.721","0.002","87.247","0.002","4850.1","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H164 N13 Na3 Zn4 -","- C82 H164 N13 Na3 Zn4 -","- C164 H328 N26 Na6 Zn8 -","2","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0996","0.0413","","","0.0618","0.068","","","","","","0.809","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029740","16.1371","0.0005","17.2078","0.0005","21.6306","0.0005","90","","90","","90","","6006.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na Zn -","- C27 H53 N4 Na Zn -","- C216 H424 N32 Na8 Zn8 -","8","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0787","0.0371","","","0.0806","0.0853","","","","","","0.881","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029745","7.9547","0.0004","11.9678","0.0004","15.5015","0.0006","90","0","101.144","0.0021","90","0","1447.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br4 O2 -","- C14 H10 Br4 O2 -","- C56 H40 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","x-ray","0.71073","MoKα","","0.1022","0.0686","","","0.0876","0.0952","","","","","","1.217","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029750","12.8322","0.0006","13.232","0.0007","11.1619","0.0005","90","","115.092","0.003","90","","1716.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br4 O2 -","- C16 H14 Br4 O2 -","- C64 H56 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","","0.71073","MoKα","","0.0776","0.0484","","","0.0843","0.0931","","","","","","1.069","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029756","9.2786","0.0007","25.5371","0.0019","10.1633","0.0007","90","","104.948","0.001","90","","2326.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Au I N3 O3 -","- C24 H23 Au I N3 O3 -","- C96 H92 Au4 I4 N12 O12 -","4","2","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.0523","0.0478","","","0.1273","0.1296","","","","","","1","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029760","9.8872","0.0008","16.8643","0.0014","16.8744","0.0015","90","","100.713","0.002","90","","2764.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 I N3 O3 Pd -","- C27 H28 I N3 O3 Pd -","- C108 H112 I4 N12 O12 Pd4 -","4","1","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.078","0.0491","","","0.1007","0.1109","","","","","","0.936","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029765","22.9943","0.0004","6.7284","0.0001","23.2627","0.0004","90","","112.879","0.001","90","","3315.94","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","","Sow, Boubacar; Bellavance, Gabriel; Barabé, Francis; Barriault, Louis","One-pot Diels-Alder cycloaddition/gold(I)-catalyzed 6-endo-dig cyclization for the synthesis of the complex bicyclo[3.3.1]alkenone framework.","Beilstein journal of organic chemistry","2011","7","","1007","1013","10.3762/bjoc.7.114","","","0.71073","MoKα","","0.0701","0.0423","","","0.0946","0.1064","","","","","","1.014","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029773","11.3537","0.0003","15.5301","0.0004","18.6701","0.0005","81.989","0.002","76.082","0.002","78.338","0.001","3115.09","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H97 N8 O6 P S -","- C63 H97 N8 O6 P S -","- C126 H194 N16 O12 P2 S2 -","2","1","","Makuc, Damjan; Hiscock, Jennifer R.; Light, Mark E.; Gale, Philip A.; Plavec, Janez","NMR studies of anion-induced conformational changes in diindolylureas and diindolylthioureas.","Beilstein journal of organic chemistry","2011","7","","1205","1214","10.3762/bjoc.7.140","","","0.71073","MoKα","","0.1427","0.0779","","","0.1773","0.2069","","","","","","1.03","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029777","13.3991","0.0005","8.2341","0.0003","22.8014","0.0008","90","","96.356","0.002","90","","2500.2","0.16","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","","Cadman, Christopher J.; Croft, Anna K.","Anion-π interactions influence pK(a) values.","Beilstein journal of organic chemistry","2011","7","","320","328","10.3762/bjoc.7.42","","","0.71073","MoKα","","0.0821","0.0553","","","0.1463","0.1638","","","","","","1.046","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029780","9.2883","0.0009","11.2794","0.0011","11.673","0.0012","62.356","0.001","89.008","0.001","89.893","0.001","1083.15","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O8 -","- C26 H20 O8 -","- C52 H40 O16 -","2","1","","Arimura, Junya; Mizuta, Tsutomu; Hiraga, Yoshikazu; Abe, Manabu","Formation of macrocyclic lactones in the Paternò-Büchi dimerization reaction.","Beilstein journal of organic chemistry","2011","7","","265","269","10.3762/bjoc.7.35","","","0.71073","MoKα","","0.0389","0.0356","","","0.1021","0.106","","","","","","0.984","","","","has coordinates","178476","2020-10-21","18:00:00",""