# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:06:52+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 = 4 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
"4029736","5.7147","0.0001","13.9252","0.0002","22.2681","0.0003","90","","93.0935","0.0007","90","","1769.48","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N4 O0.5 -","- C20 H23 N4 O0.5 -","- C80 H92 N16 O2 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0849","0.0617","","","0.1722","0.1904","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029743","15.6729","0.0002","14.6136","0.0002","21.7183","0.0003","90","","103.625","0.0005","90","","4834.32","0.11","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N4 -","- C10 H18 N4 -","- C160 H288 N64 -","16","4","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1065","0.0499","","","0.1077","0.1272","","","","","","0.988","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029748","5.7467","0.0001","13.8294","0.0003","22.1701","0.0005","90","","93.377","0.001","90","","1758.87","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H22 N4 -","- C21.5 H22 N4 -","- C86 H88 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1201","0.0694","","","0.1947","0.2269","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029754","11.938","0.0002","16.4303","0.0003","25.0589","0.0005","90","","95.0346","0.0007","90","","4896.21","0.16","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 -","- C30 H26 N4 -","- C240 H208 N32 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1016","0.0458","","","0.1006","0.1201","","","","","","0.97","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029763","8.5317","0.0002","8.7993","0.0002","11.5447","0.0004","81.8531","0.0012","68.8269","0.0012","61.5111","0.0014","709.83","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.083","0.0497","","","0.1262","0.1443","","","","","","1.046","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029771","9.3287","0.0001","9.479","0.0001","10.4921","0.0002","87.4755","0.0006","70.5173","0.0006","76.4271","0.0006","849.64","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0538","0.0421","","","0.1057","0.1137","","","","","","1.058","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029774","17.0057","0.0002","8.9486","0.0001","34.3882","0.0005","90","","98.2202","0.0006","90","","5179.33","0.11","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C228 H240 N48 -","12","3","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1268","0.067","","","0.1751","0.2107","","","","","","1.051","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029776","33.1028","0.0005","6.1643","0.0001","20.2723","0.0004","90","","125.581","0.0011","90","","3364.33","0.11","90","0.2","90","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 N4 -","- C17 H28 N4 -","- C136 H224 N32 -","8","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.089","0.0516","","","0.1242","0.1436","","","","","","1.028","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029779","9.8002","0.0001","7.2445","0.0001","26.1183","0.0004","90","","94.6725","0.0006","90","","1848.17","0.04","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0729","0.046","","","0.1194","0.1342","","","","","","1.058","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029782","5.7578","0.0003","10.3819","0.0004","15.1645","0.0007","86.213","0.002","79.332","0.003","84.967","0.002","886.24","0.07","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C44 H40 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0643","0.0444","","","0.1076","0.1177","","","","","","1.035","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029784","7.2282","0.0001","14.5797","0.0003","18.0219","0.0004","90","","94.6029","0.0008","90","","1893.11","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0825","0.0483","","","0.1195","0.1367","","","","","","1.037","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029786","11.5364","0.0002","10.5199","0.0002","31.4132","0.0006","90","","97.9299","0.0007","90","","3775.91","0.12","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N4 -","- C19 H32 N4 -","- C152 H256 N32 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1119","0.0521","","","0.1281","0.1549","","","","","","0.988","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029788","5.717","0.0011","13.99","0.003","22.318","0.005","90","","93.12","0.03","90","","1782.4","0.7","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O -","- C19.768 H21.536 N4 O0.884 -","- C79.072 H86.144 N16 O3.536 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.078","0.0538","","","0.1456","0.1613","","","","","","1.038","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029796","9.3059","0.0006","12.1138","0.0008","16.5226","0.0011","90","","100.91","0.002","90","","1828.9","0.2","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 N4 -","- C19 H32 N4 -","- C76 H128 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0379","0.0357","","","0.0896","0.0919","","","","","","1.031","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029797","14.3412","0.0003","10.9327","0.0003","11.1408","0.0004","90","","91.0293","0.0011","90","","1746.46","0.09","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 -","- C18 H30 N4 -","- C72 H120 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.074","0.0443","","","0.1077","0.1196","","","","","","1.07","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029798","9.3343","0.0004","9.6107","0.0004","12.4635","0.0007","70.786","0.002","74.417","0.002","67.211","0.002","960.51","0.08","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 N4 -","- C21 H30 N4 -","- C42 H60 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0698","0.0476","","","0.1158","0.1299","","","","","","1.046","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029799","10.7318","0.0002","11.9553","0.0002","17.3861","0.0003","106.348","0.0007","91.1499","0.0007","111.053","0.0007","1979.23","0.06","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 N4 -","- C22 H26 N4 -","- C88 H104 N16 -","4","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1196","0.0527","","","0.1149","0.1394","","","","","","0.971","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029800","8.9442","0.0005","9.2587","0.0006","12.0545","0.0008","74.61","0.003","82.151","0.003","68.098","0.003","892.2","0.1","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 N4 -","- C20 H28 N4 -","- C40 H56 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1011","0.0576","","","0.1345","0.1551","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029801","10.2471","0.0002","10.8387","0.0002","13.1028","0.0002","73.0483","0.0008","69.9698","0.0009","88.6849","0.0007","1303.04","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N6 -","- C32 H30 N6 -","- C64 H60 N12 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0932","0.0485","","","0.1162","0.1353","","","","","","1.002","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029802","5.5435","0.0001","27.744","0.0005","10.0705","0.0002","90","","96.989","0.001","90","","1537.32","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N4 -","- C16 H26 N4 -","- C64 H104 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0488","0.0386","","","0.0924","0.0988","","","","","","1.04","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029803","18.066","0.004","10.234","0.002","22.275","0.005","90","","90","","90","","4118.4","1.5","173","2","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H29 N5 O2 -","- C18 H29 N5 O2 -","- C144 H232 N40 O16 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0908","0.0737","","","0.1638","0.1728","","","","","","1.116","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029804","21.483","0.003","21.483","0.003","14.924","0.003","90","","90","","120","","5964.9","1.7","168","2","168","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H27 Cl2 N O3 -","- C30 H27 Cl2 N O3 -","- C270 H243 Cl18 N9 O27 -","9","3","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.182","0.0604","","","0.0948","0.1194","","","","","","0.889","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029805","11.2325","0.0018","13.594","0.003","15.866","0.004","90","","90","","90","","2422.7","0.9","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.1409","0.0542","","","0.0955","0.1177","","","","","","1.022","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029806","11.9956","0.001","19.4176","0.0016","39.769","0.003","90.915","0.002","92.614","0.002","91.654","0.002","9248.3","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 F68 I4 O4.5 -","- C74 H44 F68 I4 O4.5 -","- C296 H176 F272 I16 O18 -","4","2","","Osipov, Maksim; Chu, Qianli; Geib, Steven J.; Curran, Dennis P.; Weber, Stephen G.","Synthesis of deep-cavity fluorous calix[4]arenes as molecular recognition scaffolds.","Beilstein journal of organic chemistry","2008","4","","36","","10.3762/bjoc.4.36","","","0.71073","MoKα","","0.1988","0.1364","","","0.3055","0.3243","","","","","","1.789","","","","has coordinates","176467","2020-10-21","18:00:00",""