# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T00:03:27+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 'Tetrahedron') AND volume = 63 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
"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",""