# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T14:05:41+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 = 85 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
"1513068","25.111","0.004","9.5073","0.0015","23.702","0.004","90","","99.151","0.002","90","","5586.5","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 F8 N O3 -","- C13 H5 F8 N O3 -","- C208 H80 F128 N16 O48 -","16","2","","Sun, Qi; Li, Jun; Liu, Wan-Nian; Dong, Qing-Jian; Yang, Wen-Chao; Yang, Guang-Fu","Non-Peptide-based fluorogenic small-molecule probe for elastase.","Analytical chemistry","2013","85","23","11304","11311","10.1021/ac402097g","","","0.71073","MoKα","","0.0647","0.0474","","","0.1366","0.1535","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:42",""