# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:32:03+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 'Acta Crystallographica Section D') AND volume = 78 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
"2312028","49.85","0.007","49.85","0.007","4.9234","0.0008","90","","90","","120","","10596","3","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C432 H396 N36 O54 -","18","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1993","0.1095","","","0.3201","0.3775","","","","","","1.146","","","","has coordinates,has disorder","277409","2022-08-26","01:41:47",""
"2312029","29.189","0.008","5.5877","0.0015","8.686","0.003","90","","90","","90","","1416.7","0.7","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1051","0.0744","","","0.1956","0.2111","","","","","","1.051","","","","has coordinates,has disorder","277409","2022-08-26","01:41:48",""