# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-13T17:48:17+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 'Macromolecules') AND volume = 37 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
"1501599","11.8715","0.0003","11.8715","0.0003","40.004","0.002","90","","90","","90","","5637.9","0.3","226","2","226","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C109 H180 N24 O20 -","- C109 H180 N24 O20 -","- C218 H360 N48 O40 -","2","0.25","","Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest","Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids","Macromolecules","2004","37","","7351","7357","10.1021/ma035977d","","","1.54178","CuKα","","0.0876","0.0868","","","0.2183","0.2195","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506851","13.1","0.003","16.206","0.003","14.737","0.002","90","","110.651","0.015","90","","2927.6","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Cl2 F10 N2 O2 Zr -","- C28 H14 Cl2 F10 N2 O2 Zr -","- C112 H56 Cl8 F40 N8 O8 Zr4 -","4","1","","Lamberti, Marina; Gliubizzi, Rocco; Mazzeo, Mina; Tedesco, Consiglia; Pellecchia, Claudio","Bis(phenoxyimine)zirconium and -titanium Catalysts Affording Prevailingly Syndiotactic Polypropylenes via Opposite Modes of Monomer Insertion†","Macromolecules","2004","37","2","276","","10.1021/ma035120g","","","0.71069","MoKα","","0.1246","0.0391","","","0.0665","0.0734","","","","","","1.479","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506852","14.121","0.003","5.579","0.001","12.938","0.003","90","","113.76","0.01","90","","932.9","0.3","298","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.168","","","","","","0.64","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506853","10.36","0.004","18.181","0.006","18.481","0.006","96.53","0.03","88.67","0.03","99.57","0.03","3410","2","93","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 Cl3 F3 N2 O10 -","- C34 H24.75 Cl3 F3 N2 O9.995 -","- C136 H99 Cl12 F12 N8 O39.98 -","4","2","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71075","MoKα","","","0.0842","","","","0.2092","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506854","12.947","0.002","7.04","0.001","9.542","0.002","90","","94.4","0.01","90","","867.2","0.3","298","1","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C44 H48 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.126","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506855","4.7799","0.0006","9.3152","0.0009","24.7353","0.0019","90","","90","","90","","1101.36","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","","Vriezema, Dennis M.; Kros, Alexander; de Gelder, René; Cornelissen, Jeroen J. L. M.; Rowan, Alan E.; Nolte, Roeland J. M.","Electroformed Giant Vesicles from Thiophene-Containing Rod−Coil Diblock Copolymers","Macromolecules","2004","37","12","4736","","10.1021/ma035789n","","","0.71073","MoKα","","0.1477","0.0606","","0.1728","0.1336","0.1728","","","1.035","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506856","15.6063","0.001","8.9275","0.0006","19.2262","0.0013","90","","98.979","0.002","90","","2645.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 I2 O2 -","- C68 H48 I2 O2 -","- C136 H96 I4 O4 -","2","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0705","0.0541","","","0.1256","0.1348","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506857","14.2586","0.0019","15.31","0.002","17.941","0.002","75.054","0.003","78.969","0.003","64.198","0.002","3392.6","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H62 O2 -","- C86 H62 O2 -","- C172 H124 O4 -","2","1","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.1181","0.0809","","","0.2259","0.2496","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506858","8.0944","0.0004","13.7017","0.0006","16.9431","0.0008","90","","90","","90","","1879.11","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I2 O2 -","- C18 H20 I2 O2 -","- C72 H80 I8 O8 -","4","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0209","0.0201","","","0.0524","0.053","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506859","12.56","0.0016","12.9515","0.0017","23.031","0.003","84.628","0.003","81.298","0.002","76.837","0.002","3599.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75.69 H63.38 Cl3.38 I2 O2 -","- C75.69 H63.38 Cl3.38 I2 O2 -","- C151.38 H126.76 Cl6.76 I4 O4 -","2","1","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.1866","0.1695","","","0.3945","0.4056","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506860","15.8462","0.0009","7.6297","0.0004","9.3907","0.0006","90","","105.906","0.001","90","","1091.88","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I2 O6 -","- C20 H24 I2 O6 -","- C40 H48 I4 O12 -","2","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0196","0.0189","","","0.0474","0.0479","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506861","14.0146","0.0007","9.5327","0.0005","11.9678","0.0006","90","","105.98","0.001","90","","1537.08","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N2 O2 -","- C12 H20 Cl2 Cu N2 O2 -","- C48 H80 Cl8 Cu4 N8 O8 -","4","1","","Nagel, Megan; Paxton, Walter F.; Sen, Ayusman; Zakharov, Lev; Rheingold, Arnold L.","Metal-Mediated Polymerization of Acrylates: Relevance of Radical Traps?","Macromolecules","2004","37","25","9305","","10.1021/ma0485437","","","0.71073","MoKα","","0.0319","0.0277","","","0.0767","0.0916","","","","","","0.409","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506862","21.303","0.003","38.332","0.005","19.564","0.002","90","","90","","90","","15976","3","203.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C496 H992 Cl16 P64 Pd16 Pt16 -","8","1","","Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi","Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides","Macromolecules","2004","37","22","8204","","10.1021/ma048612h","","","0.7107","MoKα","","","0.0595","","","","0.078","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506863","5.811","0.002","4.857","0.001","32.313","0.009","90","","90.49","0.02","90","","912","0.4","203.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Matsumoto, Akikazu; Nakazawa, Hideyuki","Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization","Macromolecules","2004","37","23","8538","","10.1021/ma048905a","","","0.7107","MoKα","","","0.077","","","","0.125","","","","","","1.174","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506864","5.837","0.002","4.856","0.001","32.742","0.009","90","","91.05","0.02","90","","927.9","0.5","303.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Matsumoto, Akikazu; Nakazawa, Hideyuki","Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization","Macromolecules","2004","37","23","8538","","10.1021/ma048905a","","","0.7107","MoKα","","","0.064","","","","0.091","","","","","","1.203","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506865","15.184","0.012","32.51","0.02","15.639","0.01","90","","102.62","0.07","90","","7533","9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H116 O91 S6 -","- C108 H116 O91 S6 -","- C216 H232 O182 S12 -","2","1","","Takashima, Yoshinori; Oizumi, Yoshihumi; Sakamoto, Kazuya; Miyauchi, Masahiko; Kamitori, Shigehiro; Harada, Akira","Crystal Structure of the Complex of β-Cyclodextrin with Bithiophene and Their Oxidative Polymerization in Water","Macromolecules","2004","37","11","3962","3964","10.1021/ma049763n","","","0.7107","MoKα","","0.171","0.1163","","","0.2809","0.2937","","","","","","1.589","","","","has coordinates","219205","2020-10-21","18:00:00",""
"1506866","15.212","0.003","9.1575","0.0019","18.012","0.004","90","","90.05","0.004","90","","2509.1","0.9","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 N O2 Si Ti -","- C23 H43 N O2 Si Ti -","- C92 H172 N4 O8 Si4 Ti4 -","4","1","","Rodriguez-Delgado, Antonio; Mariott, Wesley R.; Chen, Eugene Y.-X.","Living and Syndioselective Polymerization of Methacrylates by Constrained Geometry Titanium Alkyl and Enolate Complexes","Macromolecules","2004","37","9","3092","","10.1021/ma049774g","","","0.71073","MoKα","","0.0683","0.0537","","","0.1378","0.1488","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506867","22.4112","0.0003","4.59","","24.6403","0.0003","90","","113.19","0.001","90","","2329.89","0.05","120","2","120","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C26 H32 Br2 -","- C26 H32 Br2 -","- C104 H128 Br8 -","4","1","","Heeney, Martin; Bailey, Clare; Giles, Mark; Shkunov, Maxim; Sparrowe, David; Tierney, Steve; Zhang, Weimin; McCulloch, Iain","Alkylidene Fluorene Liquid Crystalline Semiconducting Polymers for Organic Field Effect Transistor Devices","Macromolecules","2004","37","14","5250","","10.1021/ma049798n","","","0.71073","MoKα","","0.0345","0.0272","","","0.0663","0.0699","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""