# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T14:28:29+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 'Langmuir : the ACS journal of surfaces and colloids') AND volume = 32 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
"1544416","6.2924","0.0003","7.7144","0.0004","38.6461","0.0019","90","","93.863","0.003","90","","1871.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","0334-107-3","zuckermann31","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.1726","0.1624","","","0.3973","0.402","","","","","","1.142","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544417","6.289","0.0002","7.8879","0.0002","40.5613","0.0012","90","","93.043","0.002","90","","2009.29","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","0334-84-01","zuckermann28","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C96 H120 N8 O8 -","4","1","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.1096","0.0841","","","0.179","0.1874","","","","","","1.093","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544418","19.5375","0.0004","5.7715","0.0001","8.0452","0.0002","90","","91.793","0.001","90","","906.74","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","383_35","zuckermann27","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C40 H42 Cl2 N4 O4 -","2","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0607","0.0481","","","0.1153","0.1235","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1544419","15.0462","0.0003","6.2345","0.0002","32.4582","0.0007","90","","96.519","0.001","90","","3025.07","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","JS-DKP-13dimethylphenyl","zuckermann25","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C144 H180 N12 O12 -","6","1.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0487","0.04","","","0.1018","0.1072","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544420","9.6897","0.0011","5.9729","0.0007","16.0765","0.0017","90","","90.997","0.005","90","","930.3","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","0334-84-03","zuckermann29","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","0.71073","MoKα","","0.0822","0.052","","","0.1202","0.138","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544421","36.811","0.003","6.3458","0.0005","8.754","0.0007","90","","97.952","0.005","90","","2025.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JJ-2-53-#6","zuckermann04","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C96 H120 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0548","0.0506","","","0.1632","0.1675","","","","","","1.188","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544422","11.3119","0.0002","7.3309","0.0002","22.1215","0.0005","90","","90","","90","","1834.46","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","0334-107-2","zuckermann30","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0583","0.0423","","","0.0982","0.1082","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4516586","18.116","0.014","9.199","0.006","21.372","0.015","90","","110.25","0.02","90","","3341","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F4 I2 N2 O2 -","- C34 H32 F4 I2 N2 O2 -","- C136 H128 F16 I8 N8 O8 -","4","0.5","","Bhattacharjee, Subham; Bhattacharya, Santanu","Remarkable Role of C-I···N Halogen Bonding in Thixotropic 'Halo'gel Formation.","Langmuir : the ACS journal of surfaces and colloids","2016","32","17","4270","4277","10.1021/acs.langmuir.5b02597","","","0.71073","MoKα","","0.0679","0.0373","","","0.0963","0.1049","","","","","","1.051","","","","has coordinates","236672","2020-10-21","18:00:00",""
"4516587","4.4249","0.0011","18.666","0.005","24.465","0.006","90","","93.338","0.009","90","","2017.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F4 I2 N2 O8 -","- C40 H44 F4 I2 N2 O8 -","- C80 H88 F8 I4 N4 O16 -","2","0.5","","Bhattacharjee, Subham; Bhattacharya, Santanu","Remarkable Role of C-I···N Halogen Bonding in Thixotropic 'Halo'gel Formation.","Langmuir : the ACS journal of surfaces and colloids","2016","32","17","4270","4277","10.1021/acs.langmuir.5b02597","","","0.71073","MoKα","","0.0958","0.0469","","","0.1049","0.1577","","","","","","1.088","","","","has coordinates","236672","2020-10-21","18:00:00",""
"4516588","5.747","0.003","15.85","0.007","22.201","0.01","90","","90","","90","","2022.3","1.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl06","","","- C24.7 H20 N2 O4.6 -","- C24.704 H20 N2 O4.592 -","- C98.816 H80 N8 O18.368 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.1257","0.0601","","","0.1163","0.1428","","","","","","1.026","","","","has coordinates,has disorder","236674","2020-10-21","18:00:00",""
"4516589","5.6748","0.0007","15.6612","0.0019","22.411","0.003","90","","90","","90","","1991.8","0.4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl09","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.078","0.0544","","","0.115","0.126","","","","","","1.033","","","","has coordinates","236676","2020-10-21","18:00:00",""
"4516590","5.01","0.001","17.384","0.004","13.25","0.003","90","","91.32","0.03","90","","1153.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C54 H52 N8 O8 -","2","1","","Martin, Adam D.; Wojciechowski, Jonathan P.; Bhadbhade, Mohan M.; Thordarson, Pall","A Capped Dipeptide Which Simultaneously Exhibits Gelation and Crystallization Behavior.","Langmuir : the ACS journal of surfaces and colloids","2016","32","9","2245","2250","10.1021/acs.langmuir.5b03963","","","0.71073","MoKα","","0.0526","0.0491","","","0.1224","0.1245","","","","","","1.068","","","","has coordinates","236678","2020-10-21","18:00:00",""
"4516591","18.4892","0.0018","13.141","0.0013","7.5192","0.0007","90","","93.942","0.001","90","","1822.6","0.3","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 N O S -","- C11 H7 N O S -","- C88 H56 N8 O8 S8 -","8","1","","Partes, Christoph; Yildirim, Can; Schuster, Swen; Kind, Martin; Bats, Jan W.; Zharnikov, Michael; Terfort, Andreas","Self-Assembled Monolayers of Pseudo-C<sub>2v</sub>-Symmetric, Low-Band-Gap Areneoxazolethiolates on Gold Surfaces.","Langmuir : the ACS journal of surfaces and colloids","2016","32","44","11474","11484","10.1021/acs.langmuir.6b03055","","","0.71073","MoKα","","0.0665","0.0463","","","0.116","0.1247","","","","","","1.095","","","","has coordinates","236680","2020-10-21","18:00:00",""
"4516592","10.1957","0.0001","18.8215","0.0002","13.6849","0.0002","90","","99.59","0.001","90","","2589.41","0.05","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Ag2 I2 P4 -","- C56 H56 Ag2 I2 P4 -","- C112 H112 Ag4 I4 P8 -","2","0.5","","Feng, Juan; Zeng, Lihua; Chen, Kunyu; Fang, Haobin; Zhang, Jianyong; Chi, Zhenguo; Su, Cheng-Yong","Gelation of Luminescent Supramolecular Cages and Transformation to Crystals with Trace-Doped-Enhancement Luminescence.","Langmuir : the ACS journal of surfaces and colloids","2016","32","46","12184","12189","10.1021/acs.langmuir.6b03678","","","1.54178","CuKα","","0.0298","0.0259","","","0.0636","0.0663","","","","","","1.074","","","","has coordinates","236682","2020-10-21","18:00:00",""