# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:29:22+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 'Analytical 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
"1552953","6.5913","0.0005","13.2499","0.001","17.1269","0.0012","97.941","0.004","94.83","0.004","96.958","0.004","1462.74","0.19","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H69.4 N4 O12.7 P4 -","- C61 H68 N4 O12.7 P4 -","- C61 H68 N4 O12.7 P4 -","1","0.5","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.1274","0.08","","","0.2263","0.259","","","","","","1.06","","","","has coordinates,has disorder","231206","2020-10-21","18:00:00",""
"1552954","13.1137","0.0009","13.9435","0.001","17.8162","0.0013","70.854","0.002","82.606","0.002","77.84","0.002","3002.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N6 O12 P4 -","- C48 H48 N6 O12 P4 -","- C96 H96 N12 O24 P8 -","2","1","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.1338","0.0885","","","0.2302","0.2566","","","","","","1.026","","","","has coordinates,has disorder","231206","2020-10-21","18:00:00",""
"1552955","8.381","0.002","19.609","0.006","17.205","0.005","90","","101.644","0.008","90","","2769.3","1.3","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H28 N4 O20 P4 S2 -","- C44 H28 N4 O20 P4 S2 -","- C88 H56 N8 O40 P8 S4 -","2","0.5","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.2521","0.2058","","","0.5533","0.5896","","","","","","2.57","","","","has coordinates","231206","2020-10-21","18:00:00",""