# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-22T14:23:37+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 'Chemistry') AND volume = 4 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
"1567584","20.9197","0.0002","14.8105","0.0002","21.4828","0.0002","90","","90","","90","","6656.04","0.13","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H63 F18 N8 P3 -","- C69 H57 F18 N8 P3 -","- C276 H228 F72 N32 P12 -","4","1","","La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria","A Benzimidazolium-Based Organic Cage with Antimicrobial Activity","Chemistry","2022","4","3","855","864","10.3390/chemistry4030061","","","0.6889","Synchrotron","","0.2046","0.1627","","","0.4143","0.4433","","","","","","1.475","","","","has coordinates,has disorder","277683","2022-09-06","15:32:47",""