# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:49:40+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 = 53 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
"1557501","11.5406","0.0002","18.5416","0.0003","18.7269","0.0003","90","","90","","90","","4007.2","0.11","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C120 H136 Br8 F24 N16 O24 P8 Pt4 S8 -","4","1","","Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone","Macromolecules","2020","53","6","2031","2038","10.1021/acs.macromol.0c00096","","","0.71075","MoKα","","0.0303","0.0273","","","0.0629","0.0642","","","","","","1.02","","","","has coordinates","257166","2020-10-21","18:00:00",""
"1557803","4.9863","0.0001","11.0727","0.0003","24.1254","0.0007","90","","95.681","0.002","90","","1325.46","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","2","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0566","0.058","","","","","","1.06","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557804","19.191","0.002","9.515","0.0011","7.2721","0.001","90","","99.117","0.008","90","","1311.1","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","R-o-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0904","0.0511","","","0.0882","0.1038","","","","","","0.963","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557805","4.9936","0.0008","10.8879","0.0016","23.631","0.003","90","","90","","90","","1284.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-m-ClMA","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0932","0.0501","","","0.08","0.0921","","","","","","0.959","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557806","7.5806","0.0009","7.9701","0.0011","22.102","0.003","90","","90","","90","","1335.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","R-p-Ma","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0593","0.0424","","","0.0884","0.0953","","","","","","1.026","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557807","5.3167","0.0002","14.4015","0.0004","17.1898","0.0005","90","","90","","90","","1316.2","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-MandAcetona","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0791","0.0818","","","","","","1.07","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557808","8.4442","0.0012","7.7559","0.0011","10.4879","0.0013","90","","108.302","0.007","90","","652.13","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-m-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0613","0.0421","","","0.0868","0.0955","","","","","","1.066","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557996","4.0767","0.0003","15.8073","0.001","10.3549","0.0007","90","","99.786","0.006","90","","657.58","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Van Den Broeck, Elias; Verbraeken, Bart; Dedecker, Karen; Cnudde, Pieter; Vanduyfhuys, Louis; Verstraelen, Toon; Van Hecke, Kristof; Jerca, Valentin Victor; Catak, Saron; Hoogenboom, Richard; Van Speybroeck, Veronique","Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines","Macromolecules","2020","53","10","3832","3846","10.1021/acs.macromol.0c00865","","x-ray","1.54184","CuKα","","0.0559","0.0513","","","0.1387","0.1455","","","","","","1.084","","","","has coordinates","257163","2020-10-21","18:00:00",""
"1558039","13.8753","0.0008","15.2122","0.0008","15.5548","0.0008","100.549","0.005","116.109","0.006","96.443","0.005","2828.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 F8 N2 O4 -","- C58 H38 F8 N2 O4 -","- C116 H76 F16 N4 O8 -","2","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.128","0.0901","","","0.1959","0.214","","","","","","1.043","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558040","13.843","0.0005","23.5705","0.0009","33.4177","0.0011","90","","90","","90","","10903.7","0.7","99.94","0.15","99.94","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 F8 N2 O4 -","- C65 H51 Cl3 F8 N2 O4 -","- C520 H408 Cl24 F64 N16 O32 -","8","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.1166","0.0874","","","0.1948","0.2125","","","","","","1.051","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558041","20.1165","0.0002","14.3784","0.0002","22.1071","0.0003","90","","90.242","0.001","90","","6394.27","0.14","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H36 Cl2 F8 N2 O4 Ti -","- C58 H36 Cl2 F8 N2 O4 Ti -","- C232 H144 Cl8 F32 N8 O16 Ti4 -","4","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.0468","0.0363","","","0.0967","0.1014","","","","","","1.052","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1559040","8.491","0.005","20.059","0.004","11.557","0.0006","90","","94.884","0.015","90","","1961.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 Pd -","- C23 H19 Cl N2 Pd -","- C92 H76 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0187","0.0186","","","0.0568","0.057","","","","","","1.095","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559041","12.9481","0.0005","12.0822","0.0003","11.108","0.0005","90","","114.126","0.005","90","","1585.96","0.12","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 Pd -","- C18 H17 Cl N2 Pd -","- C72 H68 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","x-ray","0.71073","MoKα","","0.0378","0.0261","","","0.0509","0.0551","","","","","","1.048","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559042","11.747","0.005","8.75","0.005","20.833","0.003","90","","103.795","0.01","90","","2079.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl3 N2 Pd -","- C22 H19 Cl3 N2 Pd -","- C88 H76 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0428","0.0422","","","0.1124","0.1129","","","","","","1.047","","","","has coordinates,has disorder","257167","2020-10-21","18:00:00",""
"1559043","11.839","0.0013","9.79","0.0018","15.847","0.002","90","","111.699","0.014","90","","1706.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Cl2 N2 Pd -","- C17.5 H16 Cl2 N2 Pd -","- C70 H64 Cl8 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.024","0.024","","","0.0662","0.0662","","","","","","1.127","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559044","8.939","0.004","10.618","0.0017","38.547","0.005","90","","90","","90","","3658.7","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl N2 Pd -","- C22 H19 Cl N2 Pd -","- C176 H152 Cl8 N16 Pd8 -","8","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0362","0.0361","","","0.1052","0.1053","","","","","","1.011","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559045","7.516","0.01","12.357","0.004","19.84","0.005","90","","90","","90","","1843","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl3 N2 Pd -","- C18 H17 Cl3 N2 Pd -","- C72 H68 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0358","0.0338","","","0.0849","0.086","","","","","","1.062","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559235","11.40835","0.00019","13.7459","0.0003","7.12221","0.00012","90","","98.8139","0.0015","90","","1103.7","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Al Cl S -","- C9 H12 Al Cl S -","- C36 H48 Al4 Cl4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","x-ray","1.54184","CuKα","","0.0592","0.0557","","","0.1533","0.1581","","","","","","1.135","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559236","10.7446","0.0002","13.1338","0.0003","7.1627","0.0002","90","","96.576","0.001","90","","1004.13","0.04","173","","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Al S -","- C9 H13 Al S -","- C36 H52 Al4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.031","0.0292","","","0.0763","0.0779","","","","","","1.073","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559237","9.3362","0.0006","7.5154","0.0006","13.7022","0.0008","90","","105.557","0.005","90","","926.2","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 Al2 S2 -","- C14 H30 Al2 S2 -","- C28 H60 Al4 S4 -","2","0.5","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.0601","0.0456","","","0.1168","0.1248","","","","","","1.029","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559451","18.201","0.003","18.852","0.003","20.713","0.003","90","","114.279","0.005","90","","6478.6","1.8","173","2","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C256 H166 B2 Cl24 F45 N4 O8 Pd2 -","2","1","","Zhang, Yuxing; Jian, Zhongbao","Comprehensive Picture of Functionalized Vinyl Monomers in Chain-Walking Polymerization","Macromolecules","2020","53","20","8858","8866","10.1021/acs.macromol.0c01953","","","1.54178","CuKα","","0.0618","0.0606","","","0.1689","0.1717","","","","","","1.026","","","","has coordinates,has disorder","258692","2020-11-04","01:01:25",""
"1559498","10.4092","0.0003","3.8459","0.0001","13.332","0.0004","90","","106.08","0.001","90","","512.84","0.03","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Cl4 S2 -","- C8 H2 Cl4 S2 -","- C16 H4 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0277","0.0275","","","0.0749","0.0752","","","","","","1.108","","","","has coordinates","259532","2020-12-04","02:30:48",""
"1559499","4.5288","0.0016","9.877","0.003","13.772","0.004","90","","95.219","0.013","90","","613.5","0.3","170","2","170.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cl4 S2 -","- C10 H4 Cl4 S2 -","- C20 H8 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0438","0.0397","","","0.1023","0.1184","","","","","","1.14","","","","has coordinates","259532","2020-12-04","02:30:49",""
"1559700","20.3089","0.0008","14.9227","0.0007","24.4008","0.001","90","","90.684","0.006","90","","7394.5","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 N2 Pt -","- C40 H36 Cl4 N2 Pt -","- C320 H288 Cl32 N16 Pt8 -","8","1","","Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation","Macromolecules","2020","53","24","11077","11088","10.1021/acs.macromol.0c00911","","","0.710747","MoKα","","0.0547","0.0425","","","0.0829","0.0866","","","","","","1.0536","","","","has coordinates","260435","2021-01-04","03:22:42",""