# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:46:08+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 = 45 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
"1503456","11.6351","0.0009","16.2914","0.0012","20.4165","0.0013","75.588","0.006","87.355","0.006","77.305","0.007","3656.4","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","1","1","","Gibson, Harry W.; Wang, Hong; Niu, Zhenbin; Slebodnick, Carla; Zhakharov, Lev N.; Rheingold, Arnold L.","Rotaxanes from Tetralactams","Macromolecules","2012","45","3","1270","","10.1021/ma202373x","","x-ray","1.54178","CuKα","","0.1877","0.1011","","","0.2651","0.3075","","","","","","0.828","","","","has coordinates","295939","2024-11-15","15:37:59",""
"1503457","10.99","0.0002","11.295","0.0003","11.649","0.0002","117.001","0.001","95.826","0.0014","104.191","0.0012","1210.58","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Lee, Chung-Chieh; Leung, Man-kit; Lee, Pei-Yu; Chiu, Tien-Lung; Lee, Jiun-Haw; Liu, Chun; Chou, Pi-Tai","Synthesis and Properties of Oxygen-LinkedN-Phenylcarbazole Dendrimers","Macromolecules","2012","45","2","751","","10.1021/ma202433y","","","0.71073","MoKα","","0.1039","0.0517","","","0.1425","0.1757","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503458","21.9636","0.0011","12.4959","0.0007","23.6723","0.0016","90","","101.38","0.004","90","","6369.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Fe2 O2 Si4 -","- C30 H44 Fe2 O2 Si4 -","- C240 H352 Fe16 O16 Si32 -","8","2","","Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César J.; Cuadrado, Isabel","Redox-Active Macrocyclic and Linear Oligo-Carbosiloxanes Prepared via Hydrosilylation from 1,3-Divinyl-1,3-Dimethyl-1,3-Diferrocenyldisiloxane","Macromolecules","2012","45","2","781","","10.1021/ma202521n","","","0.71073","MoKα","","0.0826","0.047","","","0.1051","0.1307","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507657","13.852","0.007","10.083","0.005","14.448","0.007","90","","90.117","0.007","90","","2017.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 O4 S4 -","- C42 H38 Cl2.272 O4 S4 -","- C84 H76 Cl4.544 O8 S8 -","2","0.5","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.1098","0.1042","","","0.281","0.2854","","","","","","1.636","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507658","11.705","0.007","17.58","0.011","10.318","0.006","90","","106.164","0.012","90","","2039","2","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O8 S4 -","- C44 H42 O8 S4 -","- C88 H84 O16 S8 -","2","0.5","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.1805","0.0767","","","0.1305","0.1583","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507659","8.298","0.008","10.14","0.01","11.904","0.012","71.983","0.015","82.531","0.015","89.837","0.015","943.7","1.6","393","2","393","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O4 S4 -","- C20 H14 O4 S4 -","- C40 H28 O8 S8 -","2","1","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.0419","0.0383","","","0.1026","0.1049","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507660","10.7706","0.001","10.9426","0.0008","11.4633","0.0007","67.709","0.006","72.198","0.007","65.797","0.008","1121.99","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O6 -","- C22 H24 Cl2 N2 O6 -","- C44 H48 Cl4 N4 O12 -","2","1","","Ma, Xiaohua; Swaidan, Raja; Belmabkhout, Youssef; Zhu, Yihan; Litwiller, Eric; Jouiad, Mustapha; Pinnau, Ingo; Han, Yu","Synthesis and Gas Transport Properties of Hydroxyl-Functionalized Polyimides with Intrinsic Microporosity","Macromolecules","2012","45","9","3841","","10.1021/ma300549m","","","0.71073","MoKα","","0.0448","0.0372","","","0.0864","0.0924","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508269","48.072","0.01","8.944","0.0018","32.086","0.006","90","","113","0.03","90","","12699","5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 Br2 Cl2 N2 Pd -","- C62 H58 Br2 Cl2 N2 Pd -","- C496 H464 Br16 Cl16 N16 Pd8 -","8","1","","He, Susan; Buelt, Ashley A.; Hanley, Jessica M.; Morgan, Brad P.; Tennyson, Andrew G.; Smith, Rhett C.","Sterically Encumbered Bipyridyl-Derivatized Conjugated Polymers and Metallopolymers Incorporating Phenylenevinylene, Phenyleneethynylene, and Fluorenylene Segments","Macromolecules","2012","45","16","6344","","10.1021/ma2025144","","","0.71073","MoKα","","0.0959","0.0706","","","0.1937","0.2138","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508270","8.1338","0.0011","9.735","0.0015","14.8934","0.0019","89.772","0.006","87.339","0.006","89.842","0.006","1178","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Br O2 -","- C27 H29 Br O2 -","- C54 H58 Br2 O4 -","2","1","","He, Susan; Buelt, Ashley A.; Hanley, Jessica M.; Morgan, Brad P.; Tennyson, Andrew G.; Smith, Rhett C.","Sterically Encumbered Bipyridyl-Derivatized Conjugated Polymers and Metallopolymers Incorporating Phenylenevinylene, Phenyleneethynylene, and Fluorenylene Segments","Macromolecules","2012","45","16","6344","","10.1021/ma2025144","","","0.71073","MoKα","","0.0549","0.0411","","","0.0977","0.1097","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508271","6.393","0.002","9.267","0.003","11.825","0.004","90","","90","","90","","700.6","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Darensbourg, Donald J.; Wei, Sheng-Hsuan","Depolymerization of Polycarbonates Derived from Carbon Dioxide and Epoxides to Provide Cyclic Carbonates. A Kinetic Study","Macromolecules","2012","45","15","5916","","10.1021/ma301110c","","","0.71073","MoKα","","0.0389","0.033","","","0.0799","0.0891","","","","","","0.479","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508272","24.8952","0.0013","14.1208","0.0007","23.1567","0.0018","90","","121.561","0.001","90","","6936.4","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","12026","","","- C66 H74 Al2 D16 N8 O14 -","- C66 H74 Al2 D16 N8 O14 -","- C264 H296 Al8 D64 N32 O56 -","4","0.5","","Ding, Keying; Miranda, Maria O.; Moscato-Goodpaster, Beth; Ajellal, Noureddine; Breyfogle, Laurie E.; Hermes, Eric D.; Schaller, Chris P.; Roe, Stephanie E.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Roles of Monomer Binding and Alkoxide Nucleophilicity in Aluminum-Catalyzed Polymerization of ε-Caprolactone","Macromolecules","2012","45","13","5387","","10.1021/ma301130b","","","0.71073","MoKα","","0.0879","0.049","","","0.1128","0.1331","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508546","12.8509","0.0009","14.1392","0.001","28.232","0.002","90","","91.575","0.001","90","","5127.9","0.6","144.5","0.2","144.5","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Mg O2.5 -","- C28 H26 Mg O2.5 -","- C224 H208 Mg8 O20 -","8","2","","Wang, Yang; Zhao, Wei; Liu, Xinli; Cui, Dongmei; Chen, Eugene Y.-X.","Ligand-Free Magnesium Catalyst System: Immortal Polymerization ofl-Lactide with High Catalyst Efficiency and Structure of Active Intermediates","Macromolecules","2012","45","17","6957","","10.1021/ma3007625","","","0.71073","MoKα","","0.2629","0.1371","","","0.3553","0.4279","","","","","","1.165","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508547","13.1893","0.0003","13.8705","0.0004","17.902","0.0005","76.412","0.002","85.719","0.002","65.55","0.003","2896.94","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H79 Cl3 N4 O7 Zn2 -","- C55 H79 Cl3 N4 O7 Zn2 -","- C110 H158 Cl6 N8 O14 Zn4 -","2","1","","Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.","Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst","Macromolecules","2012","45","17","6781","","10.1021/ma300803b","","","0.71073","MoKα","","0.0585","0.0412","","","0.1049","0.1129","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508548","32.15167","0.00018","32.15167","0.00018","12.28484","0.0001","90","","90","","90","","12699.2","0.14","173","","173","","","","","","","","","5","P -4","P -4","81","","","","- C57 H100 N4 O10.25 Zn2 -","- C44 H72 N4 O7 Zn2 -","- C352 H576 N32 O56 Zn16 -","8","2","","Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.","Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst","Macromolecules","2012","45","17","6781","","10.1021/ma300803b","","","1.54184","CuKα","","0.0645","0.057","","","0.1494","0.1564","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508549","11.3265","0.0006","11.7429","0.0005","12.8716","0.0006","72.932","0.005","64.349","0.005","86.317","0.006","1471.38","0.15","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H44 Cl5 N O Sn -","- C20 H44 Cl5 N O Sn -","- C40 H88 Cl10 N2 O2 Sn2 -","2","1","","Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito","Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers","Macromolecules","2012","45","19","7749","","10.1021/ma301505j","","","0.71075","MoKα","","0.0671","0.0503","","","0.1301","0.1384","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508550","18.2479","0.0006","11.5043","0.0004","11.3089","0.0003","90","","90","","90","","2374.07","0.13","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H36 Al Cl4 N -","- C16 H36 Al Cl4 N -","- C64 H144 Al4 Cl16 N4 -","4","0.5","","Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito","Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers","Macromolecules","2012","45","19","7749","","10.1021/ma301505j","","","0.71075","MoKα","","0.0853","0.0637","","","0.1496","0.1607","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508551","9.0425","0.0015","14.736","0.002","20.513","0.003","90","","90","","90","","2733.4","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Al2 N2 O4 -","- C28 H36 Al2 N2 O4 -","- C112 H144 Al8 N8 O16 -","4","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.159","0.111","","","0.2644","0.2921","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508552","9.4593","0.0007","13.5246","0.001","11.9595","0.0009","90","","106.377","0.001","90","","1467.94","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 Al N2 O2 -","- C35 H39 Al N2 O2 -","- C70 H78 Al2 N4 O4 -","2","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.0413","0.0378","","","0.0916","0.0935","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508553","11.3045","0.0012","12.439","0.0014","14.213","0.0015","72.061","0.001","74.131","0.001","73.023","0.001","1781.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","1","","Xiao, Tangxin; Feng, Xiaoqing; Ye, Shuyang; Guan, Yangfan; Li, Shao-Lu; Wang, Qi; Ji, Ya; Zhu, Dunru; Hu, Xiaoyu; Lin, Chen; Pan, Yi; Wang, Leyong","Highly Controllable Ring‒Chain Equilibrium in Quadruply Hydrogen Bonded Supramolecular Polymers","Macromolecules","2012","45","24","9585","","10.1021/ma302459n","","","0.71073","MoKα","","0.0948","0.0642","","","0.1243","0.1291","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""