# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T20:08:32+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 'Soft matter') AND volume = 12 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
"1534351","11.4458","0.0002","11.4458","0.0002","27.7551","0.0005","90","","90","","120","","3148.95","0.1","293","2","293","2","","","","","","","","5","P 65","P 65","170","","Boc-L-Cys(Me)-L-Leu-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0468","0.0403","","","0.104","0.1083","","","","","","1.042","","","","has coordinates","176211","2020-10-21","18:00:00",""
"1534352","5.08911","0.00007","12.09583","0.00013","32.4406","0.0004","90","","90","","90","","1996.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Boc-L-Leu-L-Cys(Me)-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0406","0.0391","","","0.1077","0.1091","","","","","","1.035","","","","has coordinates,has disorder","176211","2020-10-21","18:00:00",""
"1540448","9.7329","0.0009","14.233","0.002","11.6251","0.0006","90","","106.694","0.006","90","","1542.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Adduct of N-methylimidazole and 2-(4-nitrophenyl)benzo[d][1,3,2]dioxaborole","","- C16 H14 B N3 O4 -","- C16 H14 B N3 O4 -","- C64 H56 B4 N12 O16 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0677","0.0453","","","0.0979","0.1109","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540449","8.0935","0.0003","8.3643","0.0005","20.7488","0.0018","90","","94.35","0.006","90","","1400.57","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H15 B N2 O2 -","- C16 H15 B N2 O2 -","- C64 H60 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1295","0.1247","","","0.325","0.3266","","","","","","1.285","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540450","6.049","0.0005","14.0088","0.0016","27.989","0.003","90","","90","","90","","2371.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Adduct of N-methylimidazole and 2-([1,1'-biphenyl]-4-yl)benzo[d][1,3,2]dioxaborole","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1215","0.0722","","","0.1474","0.1723","","","","","","1.109","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540451","11.0667","0.0004","14.2602","0.0005","11.2083","0.0005","90","","112.988","0.005","90","","1628.35","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 5,6-dichloro-2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H13 B Cl2 N2 O2 -","- C16 H13 B Cl2 N2 O2 -","- C64 H52 B4 Cl8 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.065","0.0428","","","0.0961","0.1101","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540452","6.0264","0.0004","14.0749","0.0012","12.3126","0.001","90","","94.934","0.006","90","","1040.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adduct of N-methylimidazole and 5-methyl-2-phenylbenzo[d][1,3,2]dioxaborole","","- C24 H25 B N2 O2 -","- C24 H25 B N2 O2 -","- C48 H50 B2 N4 O4 -","2","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0561","0.043","","","0.0931","0.1008","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540453","19.788","0.0017","6.095","0.0006","12.5928","0.0008","90","","90","","90","","1518.8","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Adduct of N-methylimidazole and 4-(benzo[d][1,3,2]dioxaborol-2-yl)benzonitrile","","- C17 H14 B N3 O2 -","- C17 H14 B N3 O2 -","- C68 H56 B4 N12 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.039","0.0345","","","0.0824","0.0861","","","","","","1.061","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1542587","7.856","0.005","11.799","0.007","14.315","0.008","66.98","0.014","77.401","0.015","74.377","0.016","1166.6","1.2","293","2","293","2","","","","","","","Synthesized","4","P -1","-P 1","2","","","","- C25 H23 N5 O8 -","- C25 H19 N5 O8.52 -","- C50 H38 N10 O17.04 -","2","1","","Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.","Soft matter","2016","12","12","2997","3003","10.1039/c5sm02464a","","","0.71066","MoKα","","0.2665","0.1021","","","0.1971","0.2479","","","","","","1.128","","","","has coordinates","181812","2020-10-21","18:00:00",""
"1542617","15.791","0.003","5.0056","0.0006","16.133","0.003","90","","122.52","0.02","90","","1075.3","0.4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","","","","- C9 H10 N3 O5 -","- C9 H10 N3 O5 -","- C36 H40 N12 O20 -","4","1","","Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra","Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands.","Soft matter","2016","12","15","3622","3630","10.1039/c6sm00372a","","","0.71073","MoKα","","0.086","0.0554","","","0.1116","0.1324","","","","","","1.038","","","","has coordinates","182805","2020-10-21","18:00:00",""
"1543057","16.9274","0.0004","16.3647","0.0004","20.8867","0.0006","90","","103.701","0.003","90","","5621.2","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 O6 S -","- C24 H44 N4 O6 S -","- C192 H352 N32 O48 S8 -","8","2","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0744","0.051","","","0.1338","0.1429","","","","","","0.967","","","","has coordinates,has disorder","182804","2020-10-21","18:00:00",""
"1543058","9.22908","0.00018","7.25364","0.00012","38.9707","0.0009","90","","95.7583","0.0019","90","","2595.71","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 F6 K2 N4 O10 S2 -","- C18 H20 F6 K2 N4 O10 S2 -","- C72 H80 F24 K8 N16 O40 S8 -","4","1","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0479","0.0418","","","0.1007","0.104","","","","","","1.103","","","","has coordinates","182804","2020-10-21","18:00:00",""