# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T03:27:12+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 = 19 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
"1567989","12.4827","0.0002","16.0047","0.0003","4.74526","0.00007","90","","90","","90","","948.02","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GAG","Gly-Ala-Gly","","- C7 H13 N3 O4 -","- C7 H13 N3 O4 -","- C28 H52 N12 O16 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00813","1.395","","","","","","","has coordinates","281617","2023-03-04","18:49:54",""
"1567990","17.1256","0.0002","12.9078","0.0002","4.75585","0.00007","90","","90","","90","","1051.3","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GDG","Gly-asp-Gly","","- C8 H13 N3 O6 -","- C8 H13 N3 O6 -","- C32 H52 N12 O24 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01072","1.343","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567991","11.7071","0.0007","4.7121","0.0002","12.4111","0.0008","90","","104.951","0.006","90","","661.48","0.07","298","2","298","","100","","100","","","","Drexel University","4","P 1 21 1","P 2yb","4","GHG","Gly-Ala-Gly","Gly-His-Gly","- C10 H17 N5 O5 -","- C10 H17 N5 O5 -","- C20 H34 N10 O10 -","2","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.02067","2.376","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567992","4.89638","0.00018","9.6784","0.0003","28.5374","0.0009","90","","90","","90","","1352.36","0.08","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GYG","Gly-Ala-Gly","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01057","2.099","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1568174","13.6884","0.0007","17.0653","0.001","28.5141","0.0013","90","","90","","90","","6660.8","0.6","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O22 P2 -","- C70 H56 O22 P2 -","- C280 H224 O88 P8 -","4","1","","Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan","A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.","Soft matter","2023","19","3","430","435","10.1039/d2sm01424f","","","0.71073","MoKα","","0.1117","0.0561","","","0.1216","0.148","","","","","","1.016","","","","has coordinates","281618","2023-03-04","18:50:05",""
"1568260","6.715","0.003","7.437","0.002","24.396","0.009","86.48","0.02","82.188","0.017","68.301","0.012","1121.4","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 Br N2 -","- C21 H41 Br N2 -","- C42 H82 Br2 N4 -","2","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.0663","0.0628","","","0.1676","0.1693","","","","","","1.196","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568261","27.66","0.009","9.968","0.0019","8.286","0.0016","90","","91.613","0.012","90","","2283.7","1","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 I N2 -","- C21 H41 I N2 -","- C84 H164 I4 N8 -","4","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1194","0.097","","","0.2727","0.2966","","","","","","1.107","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568262","7.0531","0.0002","15.7762","0.0005","27.107","0.0009","96.4858","0.0018","95.9509","0.0017","98.1327","0.0017","2944.75","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 F6 N3 O4 S2 -","- C23 H41 F6 N3 O4 S2 -","- C92 H164 F24 N12 O16 S8 -","4","2","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1068","0.089","","","0.2519","0.2612","","","","","","1.05","","","","has coordinates,has disorder","281616","2023-03-04","18:49:42",""
"1568655","4.0571","0.0002","32.9255","0.0013","42.2251","0.0016","110.788","0.002","91.124","0.002","91.507","0.002","5269","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","compound 12O-AzNO2-PhO12","","- C40 H59 N O4 -","- C40 H59 N O4 -","- C240 H354 N6 O24 -","6","3","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1483","0.0883","","","0.1921","0.2094","","","","","","1.033","","","","has coordinates","283513","2023-05-05","03:38:05",""
"1568656","63.421","0.005","5.4344","0.0004","22.0542","0.0015","90","","107.341","0.004","90","","7255.6","0.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 12O-AzCN-PhS12","","- C41 H59 N O S -","- C41 H59 N O S -","- C328 H472 N8 O8 S8 -","8","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","1.54178","CuKα","","0.0594","0.0465","","","0.1177","0.1234","","","","","","1.035","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568657","36.366","0.002","14.446","0.0008","6.8454","0.0004","90","","90.421","0.004","90","","3596.1","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 12S-AzCN-PhO12","","- C41 H59 N O S -","- C41 H59 N O S -","- C164 H236 N4 O4 S4 -","4","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1143","0.0609","","","0.1203","0.1338","","","","","","1.028","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568786","10.85569","0.00008","25.04851","0.00019","12.39611","0.00009","90","","99.6153","0.0007","90","","3323.38","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H86 N8 O13 -","- C68 H86 N8 O13 -","- C136 H172 N16 O26 -","2","1","","Ibukun, Olamilekan Joseph; Gumtya, Milan; Singh, Surajit; Shit, Ananda; Haldar, Debasish","Effect of the spacer on the structure and self-assembly of FF peptide mimetics.","Soft matter","2023","19","17","3215","3221","10.1039/d3sm00339f","","","1.54184","CuKα","","0.0272","0.0269","","","0.0677","0.0679","","","","","","1.033","","","","has coordinates","283512","2023-05-05","03:37:44",""
"1569069","8.2705","0.0003","8.3119","0.0004","8.6304","0.0004","81.434","0.004","78.227","0.004","66.545","0.004","531.3","0.04","294.6","0.5","294.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C8 H19 Br N O -","- C8 H19 Br N O -","- C16 H38 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0401","0.0358","","","0.0945","0.0966","","","","","","1.06","","","","has coordinates","284347","2023-06-05","05:03:34",""
"1569070","15.6157","0.0017","13.7323","0.0016","10.4556","0.001","90","","90","","90","","2242.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H29 Br2 N2 -","- C19 H29 Br2 N2 -","- C76 H116 Br8 N8 -","4","0.5","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.1124","0.0723","","","0.2168","0.2478","","","","","","1.05","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569071","8.7747","0.0006","8.8458","0.0006","8.9862","0.0005","94.525","0.005","105.831","0.005","117.457","0.007","578.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H21 Br N O -","- C9 H21 Br N O -","- C18 H42 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0766","0.0525","","","0.1367","0.1491","","","","","","1.029","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569618","6.4465","0.001","10.691","0.002","12.369","0.002","100.887","0.017","93.957","0.016","98.408","0.015","824","0.2","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","L2","L2","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.2001","0.0778","","","0.179","0.2537","","","","","","0.987","","","","has coordinates","286198","2023-09-05","20:27:56",""
"1569619","11.9011","0.0009","6.2428","0.0004","22.2023","0.0016","90","","102.18","0.008","90","","1612.4","0.2","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L4","L4","","- C21 H15 N2 O -","- C21 H15 N2 O -","- C84 H60 N8 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.0757","0.0591","","","0.1611","0.1758","","","","","","1.063","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569620","15.072","0.002","5.7457","0.0013","22.182","0.004","90","","106.626","0.018","90","","1840.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L3","L3","","- C23 H18 N2 O2 -","- C23 H19 N3 O -","- C92 H76 N12 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","","0.71073","MoKα","","0.1748","0.0713","","","0.1598","0.2232","","","","","","0.967","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569621","14.8045","0.0012","6.147","0.0005","22.9263","0.0019","90","","107.231","0.002","90","","1992.7","0.3","297","2","297","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L5","L5","","- C108 H72 N8 O4 -","- C108 H72 N8 O4 -","- C108 H72 N8 O4 -","1","0.25","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.1241","0.0711","","","0.1617","0.2118","","","","","","1.256","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569759","9.549","0.0004","13.356","0.0006","14.7285","0.0006","108.404","0.002","103.569","0.002","95.911","0.002","1700.38","0.13","199.98","","199.98","","","","","","","","","4","P 1","P 1","1","","","","- C30 H52 N4 O5 -","- C29.9995 H51.9988 N4 O5 -","- C59.999 H103.998 N8 O10 -","2","2","","Rabaud, Dorian; Dussart, Paul; Ducouret, Guylaine; Albouy, Pierre-Antoine; Forté, Jérémy; Isare, Benjamin; Bouteiller, Laurent","Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators.","Soft matter","2023","19","36","6958","6967","10.1039/d3sm00771e","","","1.54178","CuKα","","0.0506","0.0496","","","0.1383","0.1402","","","","","","1.061","","","","has coordinates,has disorder","286816","2023-10-06","00:54:36",""
"1570154","7.3414","0.0003","13.5389","0.0005","14.84","0.0006","90","","101.962","0.004","90","","1442.98","0.1","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 Au Cl N10 O11 S2 -","- C20 H30 Au Cl N10 O11 S2 -","- C40 H60 Au2 Cl2 N20 O22 S4 -","2","1","","McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.","Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)<sub>2</sub>]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.","Soft matter","2023","19","43","8386","8402","10.1039/d3sm01006f","","x-ray","1.54184","CuKα","","0.0486","0.0395","","","0.0878","0.0938","","","","","","1.032","","","","has coordinates","288912","2024-01-06","10:00:56",""
"1570177","23.2","0.03","10.861","0.013","10.066","0.013","90","","90.07","0.04","90","","2536","6","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-cyclohexyl-3,3-dimethylbutanamide","","- C1.88 H3.61 N0.16 O0.16 -","- C1.88235 H3.60784 N0.156863 O0.156863 -","- C96 H184 N8 O8 -","51","12.75","","Bhardwaj, Varsha; Patel, Ajaykumar M.; Ballabh, Amar","Stimuli responsive gelation of <i>tert</i>-butylacetic acid based LMOGs - applications in remediation of marine oil spills, dye removal and heavy metal sensing.","Soft matter","2023","19","44","8595","8603","10.1039/d3sm00960b","","","0.71073","MoKα","","0.2741","0.0927","","","0.2136","0.3467","","","","","","0.867","","","","has coordinates","288911","2024-01-06","10:00:39",""