# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:39:25+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 'Journal of Organic Chemistry') AND volume = 88 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
"4039021","9.4236","0.0006","14.5883","0.001","9.7872","0.0007","90","","94.083","0.003","90","","1342.07","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-diaminobenzene-1,3-diaminium 2,5-diaminobenzene-1,4-diaminium dichloride","","- C6 H12 Cl2 N4 -","- C6 H12 Cl2 N4 -","- C36 H72 Cl12 N24 -","6","1.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0587","0.0458","","","0.1313","0.1429","","","","","","1.11","","","","has coordinates,has Fobs","288033","2023-12-05","13:40:16",""
"4039022","8.0533","0.0003","9.6682","0.0003","7.3499","0.0003","90","","90","","90","","572.27","0.04","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","","bensene-1,2,4,5-tetraaminium tetrachloride","","- C6 H14 Cl4 N4 -","- C6 H14 Cl4 N4 -","- C12 H28 Cl8 N8 -","2","0.25","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0224","0.0224","","","0.0562","0.0562","","","","","","1.121","","","","has coordinates,has Fobs","288034","2023-12-05","13:40:42",""
"4039023","10.7151","0.001","7.784","0.0008","7.291","0.0008","90","","90","","90","","608.12","0.11","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","3,6-Diiminocyclohexa-1,4-diene-1,4-diamine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.54178","CuKα","","0.0676","0.0537","","","0.1456","0.1543","","","","","","1.228","","","","has coordinates,has Fobs","288035","2023-12-05","13:40:54",""
"4039024","5.3141","0.0002","7.3724","0.0003","11.3921","0.0005","90","","99.436","0.001","90","","440.28","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Diaminocyclohexa-2,5-diene-1,4-diiminium Dichloride","","- C6 H10 Cl2 N4 -","- C6 H10 Cl2 N4 -","- C12 H20 Cl4 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0361","0.0287","","","0.0756","0.076","","","","","","1.108","","","","has coordinates,has Fobs","288036","2023-12-05","13:41:21",""
"4039025","7.7694","0.0005","5.5029","0.0003","7.4694","0.0005","90","","101.064","0.004","90","","313.41","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Benzene-1,2,4,5-tetraamine","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0608","0.0475","","","0.1215","0.1283","","","","","","1.071","","","","has coordinates,has Fobs","288037","2023-12-05","13:42:16",""