# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T22:00:18+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 'Crystal Growth & Design') AND volume = 24 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
"4519480","16.594","0.0016","8.1331","0.0008","14.2527","0.0012","90","","111.488","0.004","90","","1789.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.87:0.43 chloride","","- C17 H27 Cl1.13 F0.87 N O -","- C17 H27 Cl1.13 F0.87 N O -","- C68 H108 Cl4.52 F3.48 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1551","0.098","","","0.2817","0.3441","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","291176","2024-04-11","20:12:49",""
"4519481","7.065","0.0008","8.3346","0.001","15.807","0.002","90","","97.369","0.006","90","","923.09","0.19","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.26:0.74 chloride hydrate","","- C17 H27.75 Cl1.73 F0.27 N O1.38 -","- C17 H27.74 Cl1.73 F0.27 N O1.37 -","- C34 H55.48 Cl3.46 F0.54 N2 O2.74 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.209","0.0944","","","0.2725","0.3641","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","291177","2024-04-11","20:13:02",""
"4519482","7.0843","0.0004","8.3389","0.0005","15.7617","0.001","90","","97.211","0.003","90","","923.76","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.29:0.71 chloride hydrate","","- C17 H27.78 Cl1.71 F0.29 N O1.39 -","- C17 H27.78 Cl1.709 F0.291 N O1.39 -","- C34 H55.56 Cl3.418 F0.582 N2 O2.78 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1151","0.081","","","0.229","0.2604","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","291178","2024-04-11","20:13:11",""
"4519483","7.1078","0.0005","8.3133","0.0007","15.8696","0.0013","90","","97.677","0.005","90","","929.32","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.44:0.56 chloride hydrate","","- C17.56 H29.15 Cl1.44 N O1.23 -","- C17.562 H29.15 Cl1.438 N O1.232 -","- C35.124 H58.3 Cl2.876 N2 O2.464 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1176","0.0779","","","0.2305","0.2698","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","291179","2024-04-11","20:13:20",""
"4519484","7.1262","0.0008","8.3024","0.0011","15.852","0.003","90","","97.639","0.009","90","","929.6","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.46:0.54 chloride hydrate","","- C17.53 H28.93 Cl1.47 N O1.16 -","- C17.536 H28.948 Cl1.464 N O1.17 -","- C35.072 H57.896 Cl2.928 N2 O2.34 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.2188","0.117","","","0.3253","0.4067","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","291180","2024-04-11","20:13:29",""
"4519485","7.1317","0.0006","8.316","0.0007","15.8471","0.0016","90","","97.653","0.005","90","","931.48","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.42:0.58 chloride hydrate","","- C17.58 H28.99 Cl1.41 N O1.12 -","- C17.582 H28.972 Cl1.418 N O1.113 -","- C35.164 H57.944 Cl2.836 N2 O2.226 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1397","0.0929","","","0.2795","0.3319","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","291181","2024-04-11","20:13:38",""
"4519486","7.1036","0.0005","8.3072","0.0006","15.8675","0.0012","90","","97.601","0.004","90","","928.13","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.54:0.46 chloride hydrate","","- C17.47 H29.05 Cl1.53 N O1.33 -","- C17.465 H29.051 Cl1.535 N O1.328 -","- C34.93 H58.102 Cl3.07 N2 O2.656 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0754","0.0639","","","0.1736","0.1856","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","291182","2024-04-11","20:13:47",""
"4519487","16.544","0.003","8.0887","0.0014","14.229","0.002","90","","112.288","0.008","90","","1761.9","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium chloride","","- C17 H27 Cl F N O -","- C17 H27 Cl F N O -","- C68 H108 Cl4 F4 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1425","0.0838","","","0.227","0.2766","","","","","","1.07","","","","has coordinates,has Fobs","291183","2024-04-11","20:13:56",""
"4519488","7.2009","0.0003","8.3544","0.0004","15.8855","0.0008","90","","97.19","0.002","90","","948.14","0.08","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium chloride","","- C18 H30 Cl N O -","- C18 H30 Cl N O -","- C36 H60 Cl2 N2 O2 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1089","0.0965","","","0.2611","0.2918","","","","","","1.305","","","","has coordinates,has disorder,has Fobs","291184","2024-04-11","20:14:07",""
"4519489","7.1158","0.0004","8.3038","0.0006","16.0142","0.0011","90","","98.369","0.004","90","","936.17","0.11","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-bromophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H27.87 Br Cl N O1.43 -","- C17 H27.88 Br Cl N O1.44 -","- C34 H55.76 Br2 Cl2 N2 O2.88 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0799","0.0573","","","0.153","0.1701","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291185","2024-04-11","20:18:28",""
"4519490","7.0858","0.0005","8.3344","0.0006","15.8777","0.0011","90","","98.09","0.004","90","","928.34","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","Pitolisant Hydrochloride","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H28.16 Cl2 N O1.58 -","- C17 H28.162 Cl2 N O1.581 -","- C34 H56.324 Cl4 N2 O3.162 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0896","0.0558","","","0.1394","0.1612","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","291186","2024-04-11","20:18:38",""
"4519491","16.7522","0.0011","8.105","0.0005","14.1526","0.0009","90","","110.046","0.004","90","","1805.2","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.55:0.45 chloride","","- C17 H27 Cl1.45 F0.55 N O -","- C17 H27 Cl1.453 F0.547 N O -","- C68 H108 Cl5.812 F2.188 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1094","0.068","","","0.1518","0.175","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","291187","2024-04-11","20:18:47",""
"4519492","16.6909","0.0009","8.0957","0.0004","14.1643","0.0007","90","","110.726","0.003","90","","1790.08","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.75:0.25 chloride","","- C17 H27 Cl1.24 F0.76 N O -","- C17 H27 Cl1.245 F0.755 N O -","- C68 H108 Cl4.98 F3.02 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1268","0.0728","","","0.173","0.2033","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291188","2024-04-11","20:18:56",""