# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T07:48:16+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 the American Chemical Society') AND volume = 144 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
"4135636","18.6097","0.0005","19.5333","0.0005","16.7214","0.0004","90","","96.1449","0.0015","90","","6043.5","0.3","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C103 H20 O2 S6 -","- C102.66 H20 O2 S6 -","- C410.64 H80 O8 S24 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1385","0.0977","","","0.2156","0.2436","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","272065","2022-01-16","14:30:41",""
"4135637","30.4743","0.0011","10.2536","0.0004","27.1459","0.001","90","","104.991","0.0019","90","","8193.6","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C110 H60 Cl10 O4 -","- C110 H60 Cl10 O4 -","- C440 H240 Cl40 O16 -","4","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.0926","0.0874","","","0.2254","0.231","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","272066","2022-01-16","14:30:57",""
"4135638","13.7614","0.0005","14.9731","0.0006","17.3086","0.0007","78.771","0.002","78.615","0.002","75.028","0.002","3338.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H44 Cl12 O4 -","- C84 H44 Cl12 O4 -","- C168 H88 Cl24 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1151","0.0947","","","0.2925","0.3206","","","","","","1.255","","","","has coordinates,has disorder","272067","2022-01-16","14:31:09",""
"4135639","19.5697","0.0009","17.9147","0.0009","38.807","0.002","90","","104.474","0.002","90","","13173.4","1.1","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C148 H80 Cl12 O4 -","- C148 H80 Cl12 O4 -","- C592 H320 Cl48 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1131","0.0892","","","0.2359","0.2532","","","","","","1.022","","","","has coordinates,has disorder","272068","2022-01-16","14:31:24",""
"4135640","18.667","0.002","19.234","0.002","16.2905","0.0019","90","","108.354","0.005","90","","5551.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H65 Cl27 O4 -","- C121 H65 Cl26.998 O4 -","- C242 H130 Cl53.996 O8 -","2","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1504","0.0884","","","0.2433","0.2903","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272069","2022-01-16","14:31:49",""
"4135641","43.4297","0.0017","13.7993","0.0006","20.6059","0.0009","90","","102.772","0.002","90","","12043.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H84 Cl18 O4 -","- C150 H84 Cl18 O4 -","- C600 H336 Cl72 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.0782","0.0697","","","0.1852","0.1934","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","272070","2022-01-16","14:32:17",""
"4135642","10.4352","0.0014","17.672","0.002","19.298","0.003","68.679","0.008","86.263","0.009","82.937","0.008","3289.2","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H64 O4 -","- C76 H54 O4 -","- C152 H108 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1875","0.0932","","","0.2175","0.242","","","","","","0.965","","","","has coordinates,has disorder","272071","2022-01-16","14:32:34",""