# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-08-16T11:05:58+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 'Crystal Growth & Design') AND volume = 26 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
"3000592","8.81","0.003","17.268","0.004","10.929","0.004","90","","96.22","0.03","90","","1652.9","0.9","79","","79","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu F6 N4 O6 S2 -","- C28 H28 Cu F6 N4 O6 S2 -","- C56 H56 Cu2 F12 N8 O12 S4 -","2","1","","Shin-ichiro Noro","Structural Characterization of a Desolvated Flexible Porous Coordination Polymer using MicroED","Crystal Growth & Design","2026","26","","438","","","","electron","0.02508","electron","","0.1441","0.0875","","","0.2002","0.2169","","","","","","0.92","","","","has coordinates,has disorder","305932","2026-05-12","03:08:45",""
"4519521","10.1597","0.0002","16.5771","0.0003","23.4674","0.0004","90","","90","","90","","3952.34","0.13","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(7-bromo-2,1,3-benzothiadiazol-4-yl)-N,N-diphenylaniline","","- C24 H16 Br N3 S -","- C24 H16 Br N3 S -","- C192 H128 Br8 N24 S8 -","8","1","","Orlando Ortiz; Mohan Raj Anthony Raj; Thierry Maris; Stéphane Kéna-Cohen; William G. Skene","Leveraging Intermolecular Contacts of Polymorphs for Tuning Solid-State Emission","Crystal growth & Design","2026","26","","1236","1243","10.1021/acs.cgd.5c01310","","x-ray","1.34139","GaKα","","0.0319","0.0295","","","0.083","0.0848","","","","","","1.079","","","","has coordinates,has Fobs","306531","2026-06-09","18:39:18",""
"4519522","10.9741","0.0005","73.932","0.004","7.3151","0.0004","90","","90","","90","","5935","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(7-bromo-2,1,3-benzothiadiazol-4-yl)-N,N-diphenylaniline","","- C24 H16 Br N3 S -","- C24 H16 Br N3 S -","- C288 H192 Br12 N36 S12 -","12","3","","Orlando Ortiz; Mohan Raj Anthony Raj; Thierry Maris; Stéphane Kéna-Cohen; William G. Skene","Leveraging Intermolecular Contacts of Polymorphs for Tuning Solid-State Emission","Crystal growth & Design","2026","26","","1236","1243","10.1021/acs.cgd.5c01310","","x-ray","1.34139","GaKα","","0.026","0.0248","","","0.063","0.0635","","","","","","1.074","","","","has coordinates,has Fobs","306532","2026-06-09","18:40:06",""