# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:58:31+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 'Macromolecules') AND volume = 48 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
"1518564","7.6677","0.001","10.2755","0.0013","19.816","0.003","90","","90","","90","","1561.3","0.4","88","2","88","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 Br N -","- C21 H14 Br N -","- C84 H56 Br4 N4 -","4","1","","Dibble, David J.; Umerani, Mehran J.; Mazaheripour, Amir; Park, Young S.; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels‒Alder Route to Polyquinolines","Macromolecules","2015","48","3","557","","10.1021/ma5020726","","","0.71073","MoKα","","0.0183","0.0177","","","0.046","0.0463","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518717","9.483","0.0019","13.115","0.003","17.336","0.004","90.88","0.03","99.38","0.03","91.32","0.03","2126.3","0.8","150.02","0.1","150.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H27 B Br N O5 S -","- C18 H27 B Br N O5 S -","- C72 H108 B4 Br4 N4 O20 S4 -","4","2","","Carrillo, Josué Ayuso; Ingleson, Michael J.; Turner, Michael L.","Thienyl MIDA Boronate Esters as Highly Effective Monomers for Suzuki‒Miyaura Polymerization Reactions","Macromolecules","2015","48","4","979","","10.1021/ma502542g","","","0.71073","MoKα","","0.129","0.1028","","","0.2505","0.2668","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518833","5.12219","0.0001","5.25881","0.0001","17.6394","0.0004","95.2896","0.0013","92.3561","0.0014","101.217","0.0013","463.236","0.017","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","1","0.5","","Kanosue, Kenta; Shimosaka, Takamichi; Wakita, Junji; Ando, Shinji","Polyimide and Imide Compound Exhibiting Bright Red Fluorescence with Very Large Stokes Shifts via Excited-State Intramolecular Proton Transfer","Macromolecules","2015","48","6","1777","","10.1021/ma502456f","","","1.54186","CuKα","","0.0706","0.0547","","","0.1537","0.1603","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519616","8.2224","0.0003","9.2785","0.0003","15.4339","0.0007","90.007","0.003","90.047","0.003","96.421","0.003","1170.09","0.08","213.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N O3 -","- C11 H8 I N O3 -","- C44 H32 I4 N4 O12 -","4","2","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.54187","CuKα","","","0.1495","","","","0.4875","","","","","","4.767","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519617","9.396","0.002","11.516","0.002","9.933","0.001","90","","97.59","0.01","90","","1065.4","0.3","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C44 H32 Cl4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0514","","","","0.133","","","","","","0.722","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519618","4.108","0.001","11.388","0.002","11.496","0.002","93.34","0.02","94.58","0.02","90.96","0.02","535.05","0.19","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N O3 -","- C11 H8 Br N O3 -","- C22 H16 Br2 N2 O6 -","2","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0669","","","","0.2127","","","","","","1.897","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519619","10.072","0.002","5.665","0.001","17.929","0.003","90","","103.34","0.02","90","","995.4","0.3","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C44 H32 F4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.08","","","","0.231","","","","","","0.928","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529278","6.911","0.001","7.727","0.001","12.082","0.002","101.66","0.01","97.22","0.01","106.59","0.01","593.91","0.16","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","1","","Itoh, Takahito; Nomura, Shinji; Nakasho, Hirofumi; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Halogen Bond Effect for Single-Crystal-to-Single-Crystal Transformation: Topochemical Polymerization of Substituted Quinodimethane","Macromolecules","2015","48","15","5450","","10.1021/acs.macromol.5b01078","","","1.5419","CuKα","","","0.059","","","","0.1607","","","","","","1.845","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529279","6.795","0.002","8.051","0.002","11.928","0.003","98.28","0.02","103.43","0.02","106.3","0.02","593.7","0.3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","1","","Itoh, Takahito; Nomura, Shinji; Nakasho, Hirofumi; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Halogen Bond Effect for Single-Crystal-to-Single-Crystal Transformation: Topochemical Polymerization of Substituted Quinodimethane","Macromolecules","2015","48","15","5450","","10.1021/acs.macromol.5b01078","","","1.5419","CuKα","","","0.1324","","","","0.2992","","","","","","1.322","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529846","5.965","0.004","10.206","0.008","10.513","0.008","90","","90.678","0.009","90","","640","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 S3 -","- C4 H6 S3 -","- C16 H24 S12 -","4","1","","Luo, Ming; Zhang, Xing-Hong; Darensbourg, Donald J.","An Investigation of the Pathways for Oxygen/Sulfur Scramblings during the Copolymerization of Carbon Disulfide and Oxetane","Macromolecules","2015","48","16","5526","","10.1021/acs.macromol.5b01251","","","0.71073","MoKα","","0.0506","0.037","","","0.0772","0.082","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534094","12.6643","0.0014","15.7605","0.0017","18.076","0.002","105.968","0.001","97.219","0.002","99.105","0.001","3370.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Cl2 N10 O7 Ru -","- C78 H58 N10 O7 Ru -","- C156 H116 N20 O14 Ru2 -","2","1","","Fan, Congbin; Ye, Changqing; Wang, Xiaomei; Chen, Zhigang; Zhou, Yuyang; Liang, Zuoqin; Tao, Xutang","Synthesis and Electrochromic Properties of New Terpyridine‒Triphenylamine Hybrid Polymers","Macromolecules","2015","48","18","6465","","10.1021/acs.macromol.5b00493","","","0.71073","MoKα","","0.1497","0.0932","","","0.1412","0.1627","","","","","","1.102","","","","has coordinates","160414","2020-10-21","18:00:00",""
"1540588","16.2698","0.0011","15.1873","0.0009","25.1775","0.0016","90","","96.682","0.002","90","","6179","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Br4 N9 O10 Yb -","- C58 H72 Br4 N9 O10 Yb -","- C232 H288 Br16 N36 O40 Yb4 -","4","1","","Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.","Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes","Macromolecules","2015","48","22","8197","","10.1021/acs.macromol.5b01880","","","0.71073","MoKα","","0.0511","0.0325","","","0.0649","0.0706","","","","","","1.019","","","","has coordinates","170734","2020-10-21","18:00:00",""
"1540589","13.3478","0.0004","15.5479","0.0004","17.2278","0.0005","90","","90","","90","","3575.29","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 N2 O5 Yb -","- C40 H47 N2 O5 Yb -","- C160 H188 N8 O20 Yb4 -","4","1","","Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.","Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes","Macromolecules","2015","48","22","8197","","10.1021/acs.macromol.5b01880","","","0.71073","MoKα","","0.0265","0.0248","","","0.0606","0.0616","","","","","","1.02","","","","has coordinates","170735","2020-10-21","18:00:00",""
"1554147","10.4","0.002","15.6","0.003","20","0.004","90","","105","0.03","90","","3134.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Lu O Si3 -","- C28 H47 Lu O Si3 -","- C112 H188 Lu4 O4 Si12 -","4","1","","Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang","1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts","Macromolecules","2015","48","6","1627","","10.1021/acs.macromol.5b00037","","","0.71073","MoKα","","0.028","0.0271","","","0.0593","0.0598","","","","","","1.121","","","","has coordinates","236686","2020-10-21","18:00:00",""
"1554148","10.4","0.002","15.8","0.003","20","0.004","90","","104.6","0.03","90","","3180.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 O Si3 Y -","- C28 H47 O Si3 Y -","- C112 H188 O4 Si12 Y4 -","4","1","","Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang","1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts","Macromolecules","2015","48","6","1627","","10.1021/acs.macromol.5b00037","","","0.71073","MoKα","","0.044","0.0393","","","0.1042","0.1068","","","","","","1.158","","","","has coordinates","236688","2020-10-21","18:00:00",""
"1554149","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554150","15.7822","0.0006","5.6013","0.0002","16.275","0.0005","90","","99.255","0.003","90","","1419.99","0.09","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O4 -","- C18 H16.998 O4 -","- C72 H67.992 O16 -","4","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","1.54178","CuKα","","0.0557","0.0502","","","0.1345","0.1382","","","","","","1.082","","","","has coordinates,has disorder","236690","2020-10-21","18:00:00",""
"1554151","9.226","0.0003","20.5019","0.0008","24.273","0.0009","90","","96.132","0.001","90","","4565","0.3","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 N8 O10 -","- C44 H68 N8 O10 -","- C176 H272 N32 O40 -","4","1","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","1.54178","CuKα","","0.0773","0.0687","","","0.2013","0.214","","","","","","1.03","","","","has coordinates,has disorder","236690","2020-10-21","18:00:00",""
"1554152","5.5677","0.0004","9.2109","0.0007","35.394","0.003","90","","91.726","0.001","90","","1814.3","0.2","100","2","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 O4 -","- C23 H19 O4 -","- C92 H76 O16 -","4","1","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0444","0.0376","","","0.0894","0.0934","","","","","","1.038","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554153","5.8334","0.0002","14.4688","0.0005","14.48","0.0005","119.601","0.001","90.053","0.002","95.149","0.002","1056.9","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H46 O8 -","- C54 H46 O8 -","- C54 H46 O8 -","1","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0543","0.0449","","","0.1305","0.1483","","","","","","1.025","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554154","12.6313","0.0018","7.672","0.0012","16.025","0.003","90","","107.02","0.004","90","","1484.9","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Kriechbaum, Konstantin; Cerrón-Infantes, D. Alonso; Stöger, Berthold; Unterlass, Miriam M.","Shape-Anisotropic Polyimide Particles by Solid-State Polycondensation of Monomer Salt Single Crystals","Macromolecules","2015","48","24","8773","","10.1021/acs.macromol.5b01545","","x-ray","0.71073","MoKα","","0.0415","0.0324","","","0.0466","0.047","","","","2.9","2.9","2.65","","","","has coordinates","288070","2023-12-06","12:50:20",""
"1554155","16.966","0.004","10.138","0.002","19.461","0.005","90","","104.447","0.006","90","","3241.5","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACPhenylIsocyanate","","","- C38 H38 N4 O4 -","- C38 H38 N4 O4 -","- C152 H152 N16 O16 -","4","1","","Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s","Macromolecules","2015","48","24","9081","","10.1021/acs.macromol.5b01930","","","0.71075","MoKα","","0.104","0.0843","","","0.2463","0.2575","","","","","","1.069","","","","has coordinates","236694","2020-10-21","18:00:00",""
"1554156","17.244","0.003","18.378","0.003","19.472","0.003","90","","113.868","0.003","90","","5643.1","1.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACPhenylIsocyanateCarbimidate","","","- C31 H33 N3 O3 -","- C31 H33 N3 O3 -","- C248 H264 N24 O24 -","8","2","","Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s","Macromolecules","2015","48","24","9081","","10.1021/acs.macromol.5b01930","","","0.71075","MoKα","","0.1614","0.0739","","","0.1445","0.1806","","","","","","1.006","","","","has coordinates","236694","2020-10-21","18:00:00",""
"1554159","7.3917","0.0004","5.808","0.0003","26.6182","0.0014","90","","94.1545","0.0018","90","","1139.74","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium Benzosulfonylperoxysulfate","","- C6 H7 K O8 S2 -","- C6 H7 K O8 S2 -","- C24 H28 K4 O32 S8 -","4","1","","Potzmann, Paul Michael; Lopez Villanueva, Francisco Javier; Liska, Robert","UV-Initiated Bubble-Free Frontal Polymerization in Aqueous Conditions","Macromolecules","2015","48","24","8738","","10.1021/acs.macromol.5b02348","","","0.71073","MoKα","","0.0257","0.0238","","","0.0603","0.0612","","","","","","1.047","","","","has coordinates","236699","2020-10-21","18:00:00",""