# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T09:50:14+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 'Journal of Organic Chemistry') AND volume = 87 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
"4038989","16.44","0.002","17.2113","0.0015","14.4688","0.0014","90","","116.005","0.005","90","","3679.5","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","4","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.1286","0.0736","","","0.2149","0.2765","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","275603","2022-05-22","12:30:18",""
"4038990","4.9738","0.0002","12.2716","0.0004","14.6059","0.0005","90","","90","","90","","891.49","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Azidotetrazolo(5,1-a)phthalazine","6-azido-4H-tetrazolo[5,1-a]phthalazine","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.029","0.0271","","","0.0737","0.0755","","","","","","1.035","","","","has coordinates,has Fobs","275604","2022-05-22","12:30:35",""
"4038991","16.4145","0.001","17.1201","0.0009","19.7351","0.0012","76.729","0.003","85.855","0.003","89.965","0.003","5383","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C192 H96 N192 -","24","12","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.0879","0.0674","","","0.1805","0.1976","","","","","","1.026","","","","has coordinates,has Fobs","275605","2022-05-22","12:30:54",""
"4038992","16.423","0.0008","17.1344","0.0008","25.7615","0.0013","90","","97.989","0.002","90","","7178.9","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C256 H128 N256 -","32","8","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.1302","0.1126","","","0.2999","0.3176","","","","","","1.103","","","","has coordinates,has Fobs","275606","2022-05-22","12:31:10",""
"4038993","4.9733","0.0001","12.1827","0.0003","14.5857","0.0003","90","","92.319","0.001","90","","883","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","2","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0351","0.0351","","","0.1015","0.1015","","","","","","1.059","","","","has coordinates,has Fobs","275607","2022-05-22","12:31:22",""
"4038994","8.3082","0.0004","13.8805","0.0006","8.052","0.0004","90","","100.967","0.002","90","","911.61","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0344","0.0315","","","0.0893","0.0925","","","","","","1.05","","","","has coordinates,has Fobs","275608","2022-05-22","12:31:33",""
"4038995","20.2505","0.001","33.1064","0.0015","5.3773","0.0003","90","","90","","90","","3605.1","0.3","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0404","0.0367","","","0.0908","0.0934","","","","","","1.062","","","","has coordinates,has Fobs","275609","2022-05-22","12:40:24",""
"4038996","6.1658","0.0001","17.1862","0.0003","8.8111","0.0002","90","","102.164","0.001","90","","912.72","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0445","0.0429","","","0.1071","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","275610","2022-05-22","12:40:35",""
"4038997","7.4796","0.0002","5.1345","0.0001","11.9958","0.0003","90","","104.155","0.001","90","","446.699","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C16 H8 N16 -","2","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0359","0.0358","","","0.0904","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","275611","2022-05-22","12:40:46",""
"4038998","18.3893","0.0004","18.6897","0.0005","12.66","0.0003","90","","90","","90","","4351.12","0.18","150","","150","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25.5 H20 O5.5 -","- C25.5 H20 O5.5 -","- C204 H160 O44 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0473","0.0467","","","0.1283","0.1297","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","276090","2022-06-18","15:03:08",""
"4038999","12.8587","0.0003","8.9635","0.0002","30.2132","0.0007","90","","90","","90","","3482.34","0.14","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0456","0.0376","","","0.0974","0.1038","","","","","","1.033","","","","has coordinates,has Fobs","276091","2022-06-18","15:03:22",""
"4039000","12.955","0.0012","9.0569","0.0009","30.47","0.003","90","","90","","90","","3575.1","0.6","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0478","0.0419","","","0.106","0.112","","","","","","1.038","","","","has coordinates,has Fobs","276094","2022-06-18","15:03:36",""
"4039001","3.8692","0.0002","13.0002","0.0005","13.4342","0.0006","90","","92.021","0.002","90","","675.32","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0488","0.048","","","0.1436","0.1443","","","","","","1.166","","","","has coordinates,has Fobs","276095","2022-06-18","15:03:46",""
"4039002","3.7666","0.0004","11.9321","0.0013","9.487","0.0009","90","","90.18","0.007","90","","426.38","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O2 -","- C12 H8 O2 -","- C24 H16 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0536","0.0446","","","0.1292","0.1443","","","","","","0.943","","","","has coordinates,has Fobs","276096","2022-06-18","15:03:56",""
"4039003","9.4974","0.0005","20.7529","0.0009","4.8353","0.0003","90","","90","","90","","953.03","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0518","0.0408","","","0.0913","0.0962","","","","","","1.139","","","","has coordinates,has Fobs","276097","2022-06-18","15:04:07",""
"4039004","4.8559","0.0001","10.7212","0.0003","12.4441","0.0003","90","","98.773","0.001","90","","640.27","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Br4 O2 -","- C12 H4 Br4 O2 -","- C24 H8 Br8 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0349","0.0348","","","0.0964","0.0964","","","","","","1.159","","","","has coordinates,has Fobs","276098","2022-06-18","15:04:16",""
"4039005","7.4617","0.0005","10.9134","0.0006","11.5066","0.0006","81.561","0.003","74.206","0.004","83.191","0.004","888.83","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H4 Cl4 O2 -","- C12 H4 Cl4 O2 -","- C36 H12 Cl12 O6 -","3","1.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0545","0.0476","","","0.1231","0.1292","","","","","","1.019","","","","has coordinates,has Fobs","276099","2022-06-18","15:04:34",""
"4039006","6.9048","0.0002","4.6436","0.0001","19.7929","0.0006","90","","99.258","0.001","90","","626.36","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C32 H36 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0416","0.0397","","","0.1215","0.1244","","","","","","1.107","","","","has coordinates,has Fobs","276100","2022-06-18","15:04:48",""
"4039007","5.1591","0.0004","11.0703","0.0008","10.7115","0.0007","90","","95.006","0.005","90","","609.43","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0394","0.0371","","","0.1111","0.1134","","","","","","1.101","","","","has coordinates,has Fobs","276101","2022-06-18","15:04:59",""
"4039008","5.576","0.0003","10.2185","0.0005","10.9447","0.0005","90","","90.06","0.002","90","","623.61","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0364","0.0359","","","0.101","0.1015","","","","","","1.055","","","","has coordinates,has Fobs","276102","2022-06-18","15:05:08",""
"4039009","9.9404","0.0003","12.579","0.0004","15.1193","0.0004","90","","90","","90","","1890.52","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0379","0.0376","","","0.0996","0.0999","","","","","","1.043","","","","has coordinates,has Fobs","276103","2022-06-18","15:05:19",""
"4039010","3.9361","0.0005","8.1328","0.0012","10.09","0.0015","103.215","0.006","98.917","0.006","94.489","0.006","308.46","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C16 H17 O2 -","- C16 H17 O2 -","- C16 H17 O2 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.34139","GaKα","","0.0479","0.0448","","","0.1362","0.1406","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","280031","2022-12-24","15:22:43",""
"4039011","7.7126","0.0006","8.7927","0.0007","10.319","0.0008","97.989","0.004","102.763","0.005","115.573","0.005","593.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diol","","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.1087","0.096","","","0.2257","0.2428","","","","","","1.069","","","","has coordinates,has Fobs","280032","2022-12-24","15:22:53",""
"4039012","7.8307","0.0003","8.1915","0.0003","10.2693","0.0006","75.078","0.003","76.037","0.002","85.769","0.003","617.66","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrabromo[1,1'-biphenyl]-4,4'-diol","","- C14 H11 Br2 O2 -","- C14 H11 Br2 O2 -","- C28 H22 Br4 O4 -","2","1","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0773","0.0678","","","0.1851","0.1938","","","","","","1.153","","","","has coordinates,has Fobs","280033","2022-12-24","15:23:02",""
"4039013","19.7264","0.0005","6.2955","0.0002","8.8067","0.0002","90","","110.054","0.001","90","","1027.37","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Cl4 O4 -","- C22 H18 Cl4 O4 -","- C44 H36 Cl8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.027","0.0269","","","0.0773","0.0775","","","","","","1.074","","","","has coordinates,has Fobs","280034","2022-12-24","15:23:12",""
"4039014","19.8053","0.0003","6.3558","0.00001","9.0498","0.0002","90","","109.266","0.0001","90","","1075.38","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Br4 O4 -","- C22 H18 Br4 O4 -","- C44 H36 Br8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0253","0.0253","","","0.0726","0.0726","","","","","","1.201","","","","has coordinates,has Fobs","280035","2022-12-24","15:23:22",""