# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T05:08:31+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 = 5 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
"4507152","3.926","0.002","29.897","0.015","12.602","0.007","90","","96.092","0.009","90","","1470.8","1.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H22 S2 -","- C42 H22 S2 -","- C84 H44 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1002","0.0686","","","0.195","0.2145","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507153","9.453","0.003","23.472","0.008","10.814","0.004","90","","115.077","0.006","90","","2173.2","1.3","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1493","0.087","","","0.2171","0.2539","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507154","19.4","0.002","5.059","0.0006","22.602","0.003","90","","102.273","0.003","90","","2167.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1272","0.0712","","","0.1535","0.1828","","","","","","1.017","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507155","8.6659","0.0017","13.122","0.003","13.694","0.003","112.96","0.004","93.861","0.004","97.858","0.004","1407.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H70 S2 -","- C66 H68 S2 -","- C66 H68 S2 -","1","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.2133","0.0882","","","0.2154","0.2933","","","","","","0.998","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507156","4.582","0.004","5.431","0.005","39.03","0.04","88.589","0.015","87.513","0.015","82.764","0.019","962.4","1.6","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C46 H60 O4 -","2","1","","Tanioku, Chiaki; Matsukawa, Kimihiro; Matsumoto, Akikazu","Thermochromism and Structural Change in Polydiacetylenes Including Carboxy and 4-Carboxyphenyl Groups as the Intermolecular Hydrogen Bond Linkages in the Side Chain","ACS Applied Materials & Interfaces","2013","5","3","940","","10.1021/am302603p","","","0.71075","MoKα","","","0.0596","","","","0.1711","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507440","24.32","0.007","7.613","0.002","6.1826","0.0018","90","","94.301","0.004","90","","1141.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","29DPhDNTT","29DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C68 H40 S4 -","2","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","0.71073","MoKα","","0.0642","0.054","","","0.1615","0.1679","","","","","","1.25","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507441","6.9888","0.0003","46.665","0.009","7.18","0.0004","90","","90","","90","","2341.6","0.5","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,10-DPhDNTT","3,10-DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C136 H80 S8 -","4","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","1","synchrotron","","0.0698","0.0594","","","0.1608","0.1651","","","","","","1.338","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507442","5.05464","0.00009","23.4235","0.0004","16.7903","0.0003","90","","90.676","0.006","90","","1987.79","0.06","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 S2 -","- C26 H21 N O2 S2 -","- C104 H84 N4 O8 S8 -","4","1","","Suzuki, Tsuyoshi; Okamoto, Toshihiro; Saeki, Akinori; Seki, Shu; Sato, Hiroyasu; Matsuo, Yutaka","Formation of photoconductive nanowires of tetracene derivative in composite thin film.","ACS applied materials & interfaces","2013","5","6","1937","1942","10.1021/am302914w","","","1.54187","CuKα","","","0.0397","","","","0.1119","","","","","","1.12","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507886","12.6505","0.0015","14.1353","0.0017","19.489","0.002","90","","90","","90","","3485","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 O4 S -","- C19 H15 N3 O4 S -","- C152 H120 N24 O32 S8 -","8","2","","McNeil, S. Keith; Kelley, Steven P.; Beg, Cameran; Cook, Hamilton; Rogers, Robin D.; Nikles, David E.","Cocrystals of 10-Methylphenthiazine and 1,3-Dinitrobenzene: Implications for the Optical Sensing of TNT-Based Explosives.","ACS applied materials & interfaces","2013","5","15","7647","7653","10.1021/am401961s","","","0.71073","MoKα","","0.1101","0.047","","","0.0695","0.0842","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508357","5.8865","0.0008","7.5079","0.001","14.347","0.002","96.106","0.004","94.285","0.004","90.414","0.004","628.64","0.15","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.1073","0.0981","","","0.2374","0.2423","","","","","","1.253","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508358","5.9155","0.0016","7.772","0.002","13.991","0.004","86.589","0.01","78.271","0.008","86.424","0.009","627.9","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.0381","0.034","","","0.0947","0.0966","","","","","","1.089","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508392","13.049","0.003","15.994","0.003","17.871","0.004","109.06","0.03","106.02","0.03","92.22","0.03","3354.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C130 H122 Cd4 Cl6 N8 O8 S16 -","4","2","","Wu, Yulei; Zhang, Wenjun; Li, Xiaodong; Min, Chao; Jiu, Tonggang; Zhu, Yuejin; Dai, Ning; Fang, Junfeng","Solution-processed hybrid cathode interlayer for inverted organic solar cells.","ACS applied materials & interfaces","2013","5","21","10428","10432","10.1021/am404053e","","","0.71073","MoKα","","0.1067","0.0724","","","0.1956","0.2398","","","","","","1.112","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508613","12.528","0.007","10.051","0.005","19.086","0.01","90","","90","","90","","2403","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C112 H64 N16 O8 S16 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.1961","0.1544","","","0.3891","0.4355","","","","","","1.704","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508614","19.874","0.005","5.1023","0.0012","12.693","0.003","90","","90","","90","","1287.1","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H8 N2 O Se2 -","- C14 H8 N2 O Se2 -","- C56 H32 N8 O4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.079","0.0505","","","0.1274","0.145","","","","","","1.077","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508615","12.807","0.002","9.9871","0.0018","20.311","0.003","90","","90","","90","","2597.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0955","0.0581","","","0.1545","0.1828","","","","","","1.075","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508616","16.1045","0.0014","12.8052","0.001","6.4559","0.0005","90","","90","","90","","1331.34","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 S Se2 -","- C14 H8 N2 S Se2 -","- C56 H32 N8 S4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0577","0.0427","","","0.1146","0.1255","","","","","","0.942","","","","has coordinates","301842","2025-08-21","00:37:20",""