# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-24T20:29:50+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 'Tne Scientific World Journal') 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
"1547390","10.025","0.002","13.356","0.003","11.964","0.002","90","","94.19","0.03","90","","1597.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(3-Cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl- nicotinonitrile","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant","Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry","Tne Scientific World Journal","2013","2013","","309710","","10.1155/2013/309710","","x-ray","0.71073","MoKα","","0.0528","0.0505","","","0.1041","0.1054","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547391","10.0026","0.0004","13.658","0.0008","12.0838","0.0007","90","","93.802","0.004","90","","1647.2","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(3-Cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl- nicotinonitrile","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant","Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry","Tne Scientific World Journal","2013","2013","","309710","","10.1155/2013/309710","","","0.71073","MoKα","","0.2097","0.0595","","","0.166","0.2105","","","","","","0.713","","","","has coordinates","301779","2025-08-18","16:06:52",""