# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:54:58+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 'Macromolecules') AND volume = 49 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
"1542278","9.0044","0.0002","16.9419","0.0004","15.943","0.0003","90","","95.155","0.001","90","","2422.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 B2 S4 -","- C52 H68 B2 S4 -","- C104 H136 B4 S8 -","2","0.5","","Yin, Xiaodong; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent Main-Chain Organoborane Polymers: Highly Robust, Electron-Deficient Poly(oligothiophene borane)s via Stille Coupling Polymerization","Macromolecules","2016","49","2","537","","10.1021/acs.macromol.5b02446","","","1.54178","CuKα","","0.044","0.042","","","0.111","0.112","","","","","","1.03","","","","has coordinates","175802","2020-10-21","18:00:00",""
"1542970","4.037","0.002","5.968","0.003","13.092","0.006","79.09","0.013","87.09","0.015","85.96","0.014","308.7","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 Br2 F2 -","- C14 H8 Br2 F2 -","- C14 H8 Br2 F2 -","1","0.5","","Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui","Fluorodiphenylethene-Containing Donor‒Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors","Macromolecules","2016","49","7","2582","","10.1021/acs.macromol.6b00144","","","0.71073","MoKα","","0.029","0.0278","","","0.0684","0.0696","","","","","","1.145","","","","has coordinates,has disorder","182508","2020-10-21","18:00:00",""
"1543774","34.9876","0.0009","5.52913","0.00013","18.7802","0.0004","90","","96.1833","0.0014","90","","3611.91","0.15","93.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H12 F20 O8 -","- C40 H12 F20 O8 -","- C160 H48 F80 O32 -","4","0.5","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.54187","CuKα","","","0.0586","","","","0.1967","","","","","","0.976","","","","has coordinates","184847","2020-10-21","18:00:00",""
"1543775","12.8116","0.0003","7.9273","0.00017","16.8621","0.0004","90","","95.3096","0.0013","90","","1705.19","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H22 F10 O8 -","- C40 H22 F10 O8 -","- C80 H44 F20 O16 -","2","1","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.54187","CuKα","","","0.0931","","","","0.3054","","","","","","1.114","","","","has coordinates","184848","2020-10-21","18:00:00",""
"1543776","10.8775","0.0008","7.9949","0.0003","18.0881","0.0009","90","","92.459","0.004","90","","1571.57","0.15","204.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.5418","CuKα","","","0.0557","","","","0.1506","","","","","","1.862","","","","has coordinates","184849","2020-10-21","18:00:00",""
"1544737","16.0039","0.0003","5.6678","0.0001","17.5189","0.0003","90","","111.918","0.001","90","","1474.22","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O2 S2 -","- C32 H42 N2 O2 S2 -","- C64 H84 N4 O4 S4 -","2","0.5","","Yoon, Won Sik; Kim, Dong Won; Park, Jun-Mo; Cho, Illhun; Kwon, Oh Kyu; Whang, Dong Ryeol; Kim, Jin Hong; Park, Jung-Hwa; Park, Soo Young","A Novel Bis-Lactam Acceptor with Outstanding Molar Extinction Coefficient and Structural Planarity for Donor‒Acceptor Type Conjugated Polymer","Macromolecules","2016","49","22","8489","","10.1021/acs.macromol.6b01680","","","0.71073","MoKα","","0.0504","0.0411","","","0.1121","0.1211","","","","","","1.037","","","","has coordinates","188898","2020-10-21","18:00:00",""
"1554157","15.5307","0.0005","15.5307","0.0005","16.582","0.0005","90","","90","","120","","3463.77","0.19","123","","123","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C27 H39 Y -","- C27 H39 Y -","- C162 H234 Y6 -","6","0.333333","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0223","0.0217","","","0.0628","0.0632","","","","","","1.137","","","","has coordinates","236696","2020-10-21","18:00:00",""
"1554158","8.2756","0.0004","22.251","0.0012","28.8955","0.0015","90","","90","","90","","5320.8","0.5","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0358","0.0253","","","0.052","0.0555","","","","","","1.105","","","","has coordinates","236697","2020-10-21","18:00:00",""
"1554160","8.98","0.0018","12.15","0.002","13.67","0.003","105","0.03","93","0.03","106.6","0.03","1367.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 F N2 S -","- C36 H26 F N2 S -","- C72 H52 F2 N4 S2 -","2","1","","Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong","Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors","Macromolecules","2016","49","16","5806","","10.1021/acs.macromol.6b00185","","","0.71073","MoKα","","0.1468","0.0589","","","0.1392","0.199","","","","","","0.98","","","","has coordinates,has disorder","236701","2020-10-21","18:00:00",""
"1554161","8.91","0.0018","11.88","0.002","13.67","0.003","107.8","0.03","93.2","0.03","102.2","0.03","1335.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 S -","- C36 H28 N2 S -","- C72 H56 N4 S2 -","2","1","","Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong","Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors","Macromolecules","2016","49","16","5806","","10.1021/acs.macromol.6b00185","","","0.71073","MoKα","","0.187","0.0656","","","0.1302","0.1813","","","","","","1.044","","","","has coordinates","236703","2020-10-21","18:00:00",""
"1554162","6.25656","0.0002","20.1295","0.0008","17.8928","0.0006","90","","96.663","0.003","90","","2238.22","0.14","100.01","0.16","100.01","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br2 N2 S2 -","- C24 H22 Br2 N2 S2 -","- C96 H88 Br8 N8 S8 -","4","1","","Wang, Tingting; Wang, Hongyan; Li, Guangwu; Li, Mengwei; Bo, Zhishan; Chen, Yulan","Thiophene-Fused 1,10-Phenanthroline and Its Conjugated Polymers","Macromolecules","2016","49","11","4088","","10.1021/acs.macromol.6b00236","","x-ray","1.54184","CuKα","","0.0431","0.0344","","","0.0826","0.0904","","","","","","1.045","","","","has coordinates","236705","2020-10-21","18:00:00",""
"1554163","18.959","","15.531","","16.25","","90","","98.98","","90","","4726.2","","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 F6 N O6 P Pd S2 Sb -","- C45 H47 F6 N O6 P Pd S2 Sb -","- C180 H188 F24 N4 O24 P4 Pd4 S8 Sb4 -","4","1","","Jian, Zhongbao; Mecking, Stefan","Short-Chain Branched Polar-Functionalized Linear Polyethylene via “Tandem Catalysis”","Macromolecules","2016","49","11","4057","","10.1021/acs.macromol.6b00581","","","0.71073","MoKα","","0.0589","0.0419","","","0.0908","0.0966","","","","","","1.042","","","","has coordinates","236706","2020-10-21","18:00:00",""
"1554164","8.5926","0.0016","6.5428","0.0013","20.975","0.004","90","","99.002","0.004","90","","1164.7","0.4","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N O P -","- C28 H30 N O P -","- C56 H60 N2 O2 P2 -","2","1","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.0866","0.0904","","","","","","1.022","","","","has coordinates","236709","2020-10-21","18:00:00",""
"1554165","10.369","0.003","10.511","0.003","16.499","0.004","94.563","0.007","96.525","0.006","114.894","0.006","1604.3","0.8","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H48 N O P -","- C37 H48 N O P -","- C74 H96 N2 O2 P2 -","2","2","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0642","0.0467","","","0.1071","0.1161","","","","","","1.019","","","","has coordinates,has disorder","236710","2020-10-21","18:00:00",""
"1554166","19.029","0.005","25.005","0.005","19.75","","90","","105.62","","90","","9050","3","244","60","244","60","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76.4 Mn6 N8 O27.2 Si2 -","- C68 H76.4 Mn6 N8 O27.2 Si2 -","- C272 H305.6 Mn24 N32 O108.8 Si8 -","4","1","","Zaltariov, Mirela-Fernanda; Cazacu, Maria; Sacarescu, Liviu; Vlad, Angelica; Novitchi, Ghenadie; Train, Cyrille; Shova, Sergiu; Arion, Vladimir B.","Oxime-Bridged Mn6 Clusters Inserted in One-Dimensional Coordination Polymer","Macromolecules","2016","49","17","6163","","10.1021/acs.macromol.6b01149","","","0.71073","MoKα","","0.2381","0.1067","","","0.2343","0.3069","","","","","","1.001","","","","has coordinates,has disorder","236712","2020-10-21","18:00:00",""
"1554167","13.7997","0.0005","10.1592","0.0004","19.6502","0.0007","90","","93.2918","0.0017","90","","2750.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Fe2 O4 Si -","- C30 H36 Fe2 O4 Si -","- C120 H144 Fe8 O16 Si4 -","4","1","","Chen, Jiawei; Gowda, Ravikumar R.; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Controlled or High-Speed Group Transfer Polymerization by Silyl Ketene Acetals without Catalyst","Macromolecules","2016","49","21","8075","","10.1021/acs.macromol.6b01654","","","0.71073","MoKα","","0.0648","0.0463","","","0.1255","0.1378","","","","","","1.036","","","","has coordinates","236714","2020-10-21","18:00:00",""