# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T07:06:22+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 'ACS applied materials & interfaces') AND volume = 2 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
"4510945","11.5399","0.0007","10.634","0.0004","21.9972","0.0013","90","","99.799","0.002","90","","2660","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H5 B F12 N6 O -","- C30 H5 B F12 N6 O -","- C120 H20 B4 F48 N24 O4 -","4","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.1473","0.0652","","","0.135","0.1709","","","","","","1.037","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510946","19.7225","0.0004","10.3637","0.0003","23.4591","0.0006","90","","93.387","0.0015","90","","4786.6","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H12 B F5 N6 O -","- C30 H12 B F5 N6 O -","- C240 H96 B8 F40 N48 O8 -","8","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.0674","0.0432","","","0.1048","0.1205","","","","","","1.052","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510947","10.8303","0.0003","15.0749","0.0006","16.9006","0.0006","90","","90","","90","","2759.29","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 B F17 N6 O -","- C30 B F17 N6 O -","- C120 B4 F68 N24 O4 -","4","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.0808","0.0474","","","0.1098","0.1274","","","","","","1.045","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510948","6.2994","0.0001","9.2525","0.0002","11.2079","0.0002","66.7085","0.0011","86.1892","0.0011","87.2087","0.001","598.51","0.02","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C4 H32 Ca3 O26 P2 -","- C4 H32 Ca3 O26 P2 -","- C4 H32 Ca3 O26 P2 -","1","0.5","","Demadis, Konstantinos D.; Papadaki, Maria","Single-Crystalline Thin Films by a Rare Molecular Calcium Carboxyphosphonate Trimer Offer Prophylaxis From Metallic Corrosion","ACS Applied Materials & Interfaces","2010","2","7","1814","","10.1021/am100382r","","","0.71073","MoKα","","0.0234","0.0212","","","0.0572","0.0584","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510949","19.6146","0.0018","8.231","0.0007","20.4254","0.0018","90","","116.566","0.001","90","","2949.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2t-SubPc","frechet06","","- C38 H21 B N6 O S2 -","- C38 H21 B N6 O S2 -","- C152 H84 B4 N24 O4 S8 -","4","1","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","0.7749","synchrotron","","0.0543","0.0426","","","0.1066","0.1139","","","","","","1.015","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510950","10.9792","0.0003","11.0799","0.0003","16.4213","0.0004","70.532","0.001","81.631","0.001","74.241","0.001","1809.29","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4T-SubPc","frechet07","","- C46 H25 B N6 O S4 -","- C46 H25 B N6 O S4 -","- C92 H50 B2 N12 O2 S8 -","2","1","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","1.54178","CuKα","","0.0373","0.0335","","","0.0874","0.091","","","","","","1.02","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510951","29.4108","0.0014","10.3871","0.0005","29.3879","0.0014","90","","114.881","0.002","90","","8144.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AP-SubPC","frechet09","","- C33 H21 B N6 O -","- C33 H21 B N6 O -","- C396 H252 B12 N72 O12 -","12","3","","Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J.","Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics","ACS Applied Materials & Interfaces","2010","2","10","2833","","10.1021/am100516a","","","1.54178","CuKα","","0.0806","0.0746","","","0.1957","0.201","","","","","","1.06","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4510952","6.4637","0.0013","7.656","0.0015","14.491","0.003","77.613","0.004","81.666","0.005","67.213","0.005","644.2","0.2","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H12 F6 N2 O2 S4 -","- C30 H12 F6 N2 O2 S4 -","- C30 H12 F6 N2 O2 S4 -","1","0.5","","Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Novel semiconducting quinone for air-stable n-type organic field-effect transistors.","ACS applied materials & interfaces","2010","2","5","1303","1307","10.1021/am1001794","","","0.71075","MoKα","","","0.0966","","","","0.254","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510953","4.1677","0.0003","6.6755","0.0004","21.1858","0.0015","90","","90.169","0.002","90","","589.42","0.07","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 I2 O2 S2 -","- C10 H2 I2 O2 S2 -","- C20 H4 I4 O4 S4 -","2","0.5","","Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Novel semiconducting quinone for air-stable n-type organic field-effect transistors.","ACS applied materials & interfaces","2010","2","5","1303","1307","10.1021/am1001794","","","0.71075","MoKα","","","0.0465","","","","0.1112","","","","","","1.243","","","","has coordinates","301843","2025-08-21","01:58:36",""