# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-10-15T15:53:52+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 'Green Chemistry') AND volume = 14 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
"7207279","31.97","0.04","6.334","0.009","20.49","0.03","90","","120.078","0.013","90","","3590","9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 O5.5 Zn -","- C17 H9 O4 Zn -","- C136 H72 O32 Zn8 -","8","1","","Ibarra, Ilich A.; Bayliss, Peter A.; Pérez, Eduardo; Yang, Sihai; Blake, Alexander J.; Nowell, Harriott; Allan, David R.; Poliakoff, Martyn; Schröder, Martin","Near-critical water, a cleaner solvent for the synthesis of a metal‒organic framework","Green Chemistry","2012","14","1","117","","10.1039/c1gc15726d","","","0.6889","synchrotron","","0.194","0.137","","","0.348","0.409","","","","","","1.13","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207280","9.7477","0.0005","11.3212","0.0006","12.8467","0.0007","72.948","0.001","88.665","0.001","65.903","0.001","1229.69","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H27 Cl2 N O P Rh -","- C26.5 H27 Cl2 N O P Rh -","- C53 H54 Cl4 N2 O2 P2 Rh2 -","2","1","","Makhubela, Banothile C. E.; Jardine, Anwar; Smith, Gregory S.","Rh(i) complexes supported on a biopolymer as recyclable and selective hydroformylation catalysts","Green Chemistry","2012","14","2","338","","10.1039/c1gc15979h","","","0.71073","MoKα","","0.0288","0.0243","","","0.059","0.0612","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207690","10.3969","0.0004","10.3969","0.0004","28.4886","0.0015","90","","90","","120","","2666.9","0.2","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H33 N3 -","- C15 H33 N3 -","- C90 H198 N18 -","6","0.333333","","Mercer, Sean M.; Robert, Tobias; Dixon, Daniel V.; Chen, Chien-Shun; Ghoshouni, Zahra; Harjani, Jitendra R.; Jahangiri, Soran; Peslherbe, Gilles H.; Jessop, Philip G.","Design, synthesis, and solution behaviour of small polyamines as switchable water additives","Green Chemistry","2012","14","3","832","","10.1039/c2gc16240g","","","0.71073","MoKα","","0.0636","0.0482","","","0.1314","0.1464","","","","","","1.053","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207691","8.096","0.003","8.432","0.003","14.387","0.006","85.32","0.018","88.539","0.019","62.728","0.01","870","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C40 H36 N4 O6 S2 -","2","1","","Wen, Li-Rong; Li, Zhao-Rui; Li, Ming; Cao, Han","Solvent-free and efficient synthesis of imidazo[1,2-a]pyridine derivatives via a one-pot three-component reaction","Green Chemistry","2012","14","3","707","","10.1039/c2gc16388h","","","0.71073","MoKα","","0.0546","0.0496","","","0.1179","0.1218","","","","","","1.095","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207692","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207693","10.591","0.003","12.359","0.003","9.116","0.003","90","","97.951","0.004","90","","1181.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N3 O -","- C12 H14 Br N3 O -","- C48 H56 Br4 N12 O4 -","4","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0555","0.0345","","","0.0685","0.0739","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7207694","8.355","0.002","10.746","0.003","12.843","0.004","98.611","0.002","99.924","0.003","110.707","0.003","1034.3","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C46 H56 Cl2 N6 O4 -","2","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0662","0.0464","","","0.1083","0.116","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207695","9.8188","0.0002","15.916","0.0003","13.4755","0.0003","90","","100.875","0.002","90","","2068.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl N2 O2 -","- C26 H17 Cl N2 O2 -","- C104 H68 Cl4 N8 O8 -","4","1","","Gunasekaran, Pethaiah; Balamurugan, Kamaraj; Sivakumar, Sathiyamoorthi; Perumal, Subbu; Menéndez, J. Carlos; Almansour, Abdulrahman I.","Domino reactions in water: diastereoselective synthesis of densely functionalized indolyldihydrofuran derivatives","Green Chemistry","2012","14","3","750","","10.1039/c2gc16517a","","","0.71073","MoKα","","0.0557","0.0451","","","0.1469","0.1598","","","","","","1.254","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207696","8.715","0.004","11.09","0.004","13.771","0.007","90","","90.303","0.006","90","","1330.9","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Jida, Mouhamad; Soueidan, Olivier-Mohamad; Deprez, Benoit; Laconde, Guillaume; Deprez-Poulain, Rebecca","Racemic and diastereoselective construction of indole alkaloids under solvent- and catalyst-free microwave-assisted Pictet–Spengler condensation","Green Chemistry","2012","14","4","909","","10.1039/c2gc16596a","","","0.71073","MoKα","","0.113","0.0718","","0.1143","0.0602","0.0447","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207697","11.814","0.0005","21.2181","0.0011","14.6684","0.0006","90","","95.337","0.004","90","","3661","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Br2 N2 O -","- C40 H58 Br2 N2 O -","- C160 H232 Br8 N8 O4 -","4","1","","Doherty, Simon; Knight, Julian G.; Ellison, Jack R.; Weekes, David; Harrington, Ross W.; Hardacre, Christopher; Manyar, Haresh","An efficient recyclable peroxometalate-based polymer-immobilised ionic liquid phase (PIILP) catalyst for hydrogen peroxide-mediated oxidation","Green Chemistry","2012","14","4","925","","10.1039/c2gc16679h","","","0.71073","MoKα","","0.1057","0.0619","","","0.1392","0.1671","","","","","","1.025","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207893","9.394","0.003","9.114","0.002","16.558","0.004","90","","104.714","0.003","90","","1371.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.0502","0.0369","","","0.0893","0.0982","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207894","8.897","0.011","12.592","0.016","13.863","0.017","99.404","0.016","108.029","0.017","95.241","0.018","1440","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl N2 O4 -","- C29 H33 Cl N2 O4 -","- C58 H66 Cl2 N4 O8 -","2","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.1203","0.0708","","","0.1741","0.2046","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207895","24.11","0.01","17.011","0.009","33.45","0.02","90","","91.57","0.04","90","","13714","12","","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetrakis[4-(diacetoxyiodo)phenyl]adamantane","","- C50 H56 I4 O18 -","- C50 H52 I4 O18 -","- C400 H416 I32 O144 -","8","1","","Dohi, Toshifumi; Fukushima, Kei-ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki","An excellent dual recycling strategy for the hypervalent iodine/nitroxyl radical mediated selective oxidation of alcohols to aldehydes and ketones","Green Chemistry","2012","14","5","1493","","10.1039/c2gc16632a","","","","","","0.097","0.067","","","","0.181","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207896","9.4865","0.0004","9.9343","0.0004","10.5514","0.0005","114.009","0.002","113.796","0.002","90.405","0.002","813.5","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C40 H38 N6 -","2","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1486","0.161","","","","","","1.29","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207897","25.1335","0.0006","12.37744","0.00018","13.4158","0.0003","90","","119.443","0.003","90","","3634.47","0.17","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C152 H120 N40 O16 -","8","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","1.54184","CuKα","","0.0543","0.0445","","","0.1163","0.125","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207898","20.561","0.002","7.228","0.0008","24.638","0.003","90","","112.873","0.001","90","","3373.7","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0746","0.0457","","","0.1508","0.2011","","","","","","0.683","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207899","11.7899","0.0003","14.3124","0.0005","14.5079","0.0004","64.617","0.001","78.242","0.001","76.142","0.001","2133.06","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0877","0.0514","","","0.1385","0.1578","","","","","","1.166","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7208024","4.25566","0.0001","10.2167","0.0002","12.2711","0.0003","90","","90","","90","","533.53","0.02","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","1.5418","CuKα","","0.0236","0.0225","","","0.0574","0.0587","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208025","7.9412","0.0002","10.0129","0.0003","10.831","0.0003","90","","90","","90","","861.22","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1,3-dioxolan-2-one-4-yl)-2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","0.71073","MoKα","","0.0317","0.0276","","","0.0608","0.0632","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208130","12.142","0.002","10.509","0.002","13.907","0.003","90","","106.101","0.004","90","","1704.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag N5 O5 -","- C18 H14 Ag N5 O5 -","- C72 H56 Ag4 N20 O20 -","4","1","","Sheykhan, Mehdi; Rashidi Ranjbar, Zohreh; Morsali, Ali; Heydari, Akbar","Minimisation of E-Factor in the synthesis of N-hydroxylamines: the role of silver(i)-based coordination polymers","Green Chemistry","2012","14","7","1971","","10.1039/c2gc35076a","","","0.71073","MoKα","","0.0977","0.0421","","","0.0763","0.0956","","","","","","0.985","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208131","13.6247","0.0014","8.6852","0.0008","17.0833","0.0019","90","","112.949","0.002","90","","1861.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F3 N O4 -","- C21 H18 F3 N O4 -","- C84 H72 F12 N4 O16 -","4","1","","Reddy, T. Ram; Reddy, L. Srinivasula; Reddy, G. Rajeshwar; Yarbagi, Kaviraj; Lingappa, Y.; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Kumar, K. Shiva; Pal, Manojit","Construction of a quinoline ring via a 3-component reaction in water: crystal structure analysis and H-bonding patterns of a 2-aryl quinoline","Green Chemistry","2012","14","7","1870","","10.1039/c2gc35256g","","","0.71073","MoKα","","0.0582","0.0394","","","0.0906","0.1007","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208410","11.373","0.002","11.8524","0.0015","13.975","0.002","95.484","0.012","112.666","0.017","91.976","0.013","1725.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl6 N2 O5 -","- C34 H28 Cl6 N2 O5 -","- C68 H56 Cl12 N4 O10 -","2","1","","Khurana, Jitender M.; Chaudhary, Ankita; Lumb, Anshika; Nand, Bhaskara","An expedient four-component domino protocol for the synthesis of novel benzo[a]phenazine annulated heterocycles and their photophysical studies","Green Chemistry","2012","14","8","2321","","10.1039/c2gc35644a","","","0.71073","MoKα","","0.1296","0.0871","","","0.2353","0.2639","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208597","14.933","0.0016","14.933","0.0016","12.2771","0.0016","90","","90","","90","","2737.7","0.5","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H13 N2 S -","- C15 H13 N2 S -","- C120 H104 N16 S8 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0641","0.0553","","","0.1214","0.1302","","","","","","1.019","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208598","10.13","0.002","8.1511","0.0015","13.6","0.002","90","","93.902","0.01","90","","1120.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 S2 -","- C11 H12 N2 S2 -","- C44 H48 N8 S8 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0469","0.0379","","","0.1007","0.1069","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208599","10.493","0.0002","14.6391","0.0004","9.0779","0.0002","90","","113.021","0.001","90","","1283.39","0.05","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.7107","MoKα","","0.0655","0.0441","","","0.1048","0.1198","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208600","11.5813","0.0003","9.3856","0.0003","10.8926","0.0004","90","","101.21","0.03","90","","1161.41","0.14","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-phenyl-N'-(thiomorpholino)thiourea","N-phenyl-N'-(thiomorpholino)thiourea","","- C11 H14 N2 S2 -","- C11 H14 N2 S2 -","- C44 H56 N8 S8 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0773","0.0472","","","0.0987","0.1109","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208601","8.3457","0.0001","26.4224","0.0002","5.3071","0.0006","90","","90","","90","","1170.29","0.13","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N,N'-bis(4-fluorophenyl)thiourea","N,N'-bis(4-fluorophenyl)thiourea","","- C13 H10 F2 N2 S -","- C13 H10 F2 N2 S -","- C52 H40 F8 N8 S4 -","4","0.5","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0559","0.0364","","","0.0856","0.0924","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208602","10.2252","0.0002","10.5172","0.0003","11.1949","0.0002","90","","90.788","0.002","90","","1203.79","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C44 H52 N12 O12 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0462","0.033","","","0.0957","0.098","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208603","21.2213","0.001","8.0908","0.0004","28.6471","0.0015","90","","90","","90","","4918.6","0.4","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C176 H208 N48 O48 S16 -","16","4","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.1498","0.0471","","","0.0911","0.1249","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208604","12.67213","0.00025","9.79731","0.00027","12.10093","0.00031","90","","115.223","0.0014","90","","1359.12","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0123","","0.571","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208605","28.4936","0.0024","5.55569","0.00033","8.14303","0.00038","90","","90.7479","0.0043","90","","1288.94","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C56 H56 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0202","","0.975","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208606","14.50439","0.00092","13.62318","0.00093","7.14076","0.00026","90","","90","","90","","1410.99","0.14","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0174","","0.732","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208607","10.8539","0.0003","11.5075","0.0004","12.5661","0.0004","97.508","0.002","102.88","0.002","113.095","0.002","1365.14","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br F N O7 -","- C31 H25 Br F N O7 -","- C62 H50 Br2 F2 N2 O14 -","2","1","","Devi Bala, Balasubramanian; Michael Rajesh, Stephen; Perumal, Subbu","An eco-friendly sequential catalyst- and solvent-free four-component stereoselective synthesis of novel 1,4-pyranonaphthoquinones","Green Chemistry","2012","14","9","2484","","10.1039/c2gc35930h","","","0.71073","MoKα","","0.0773","0.0467","","","0.1145","0.1289","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208841","10.788","0.0005","16.5308","0.0008","7.1104","0.0003","90","","106.861","0.001","90","","1213.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C44 H40 N8 O20 S4 -","4","1","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0328","0.029","","","0.0754","0.0787","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208842","20.804","0.002","11.9934","0.0014","10.9684","0.0011","90","","102.666","0.002","90","","2670.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 N2 O4 S2 -","- C8 H6 Br2 N2 O4 S2 -","- C64 H48 Br16 N16 O32 S16 -","8","2","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0913","0.084","","","0.2092","0.2132","","","","","","1.149","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208843","17.188","0.005","14.671","0.005","17.44","0.005","90","0.005","93.406","0.005","90","0.005","4390","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C216 H176 N16 O32 -","8","2","","Ghosh, Partha Pratim; Pal, Gargi; Paul, Sanjay; Das, Asish R.","Design and synthesis of benzylpyrazolyl coumarin derivatives via a four-component reaction in water: investigation of the weak interactions accumulating in the crystal structure of a signified compound","Green Chemistry","2012","14","10","2691","","10.1039/c2gc36021g","","","0.71073","MoKα","","0.167","0.129","","","0.3723","0.3982","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208844","10.017","0.005","7.789","0.004","27.003","0.015","90","","95.507","0.008","90","","2097.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","","- C25 H16 Cl2 F N O3 -","- C25 H16 Cl2 F N O3 -","- C100 H64 Cl8 F4 N4 O12 -","4","1","","Indumathi, Sethuraman; Perumal, Subbu; Anbananthan, Natarajan","A facile eco-friendly three-component protocol for the regio- and stereoselective synthesis of functionalized trans-dihydrofuro[3,2-c]-quinolin-4(2H)-ones","Green Chemistry","2012","14","12","3361","","10.1039/c2gc36040c","","","0.71073","MoKα","","0.1226","0.079","","","0.1823","0.2072","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208845","10.8016","0.0004","23.0207","0.0005","9.9117","0.0003","90","","111.566","0.004","90","","2292.11","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS,3cS,6aR,7S,9S,9aR)-methyl 2,5-diethyl-7,9-di(furan-2-yl)- 1,3,4,6-tetraoxododecahydro-1H-dipyrrolo[3,4-a:3',4'-f] pyrrolizine-3b-carboxylate","","- C25 H25 N3 O8 -","- C25 H25 N3 O8 -","- C100 H100 N12 O32 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.54178","CuKα","","0.0756","0.0537","","","0.1484","0.1588","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208846","11.5934","0.0004","23.9267","0.0007","12.5474","0.0005","90","","116.043","0.004","90","","3127.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 S -","- C28 H28 Cl2 N4 O8 S -","- C112 H112 Cl8 N16 O32 S4 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.5418","CuKα","","0.0608","0.0526","","","0.1436","0.151","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208847","7.2406","0.0014","6.3111","0.0011","16.211","0.003","90","","98.719","0.007","90","","732.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 I N4 O2 -","- C13 H7 F4 I N4 O2 -","- C26 H14 F8 I2 N8 O4 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0265","0.0261","","","0.0618","0.0621","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208848","5.7206","0.0011","10.897","0.002","12.306","0.003","86.6","0.03","84.86","0.03","80.87","0.03","753.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F4 N4 O3 -","- C15 H10 F4 N4 O3 -","- C30 H20 F8 N8 O6 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0604","0.0532","","","0.1303","0.136","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208849","9.5984","0.0004","9.3308","0.0007","14.7806","0.0012","90","","100.934","0.004","90","","1299.73","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O2 -","- C16 H14 F N O2 -","- C64 H56 F4 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0723","0.0407","","","0.087","0.0951","","","","","","0.998","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208850","15.6286","0.001","8.625","0.0007","10.8601","0.0005","90","","96.661","0.004","90","","1454.02","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0673","0.0406","","","0.0946","0.1025","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208851","8.5482","0.001","10.7471","0.0012","9.6662","0.0011","90","","90","","90","","888.02","0.18","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Zhang, Chun; Zhang, Liangren; Jiao, Ning","Catalyst free approach to benzimidazoles using air as the oxidant at room temperature","Green Chemistry","2012","14","12","3273","","10.1039/c2gc36416f","","","0.71073","MoKα","","0.0583","0.0475","","","0.1148","0.1237","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7215076","11.9856","0.0003","18.2571","0.0003","9.0361","0.0002","90","","94.463","0.001","90","","1971.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indol","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indole","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","0.5","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0632","0.0528","","","0.157","0.1681","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215077","20.704","0.0005","12.3263","0.0003","21.8634","0.0005","90","","113.463","0.001","90","","5118.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tetra(indolyl)dimethane derivative","Tetra(indolyl)dimethane derivative 2 DMSO","","- C28 H30 N2 O2 S2 -","- C28 H30 N2 O2 S2 -","- C224 H240 N16 O16 S16 -","8","1","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0654","0.0496","","","0.1351","0.1466","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215078","9.7499","0.0004","30.5632","0.0013","8.5329","0.0003","90","","101.967","0.002","90","","2487.44","0.17","180","","180","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N3 O2 P S -","- C27 H28 N3 O2 P S -","- C108 H112 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","","0.71073","MoKα","","0.0649","0.0413","","","0.0927","0.1032","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215079","16.0609","0.001","18.7305","0.0013","8.9676","0.0006","90","","98.481","0.006","90","","2668.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N3 O2 P S -","- C28 H30 N3 O2 P S -","- C112 H120 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.121","0.0393","","","0.0432","0.0497","","","","","","0.664","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215080","8.7642","0.0009","10.8437","0.0011","12.1558","0.0012","94.396","0.005","106.808","0.005","109.396","0.005","1023.87","0.19","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H23 N2 O2 P S -","- C21 H23 N2 O2 P S -","- C42 H46 N4 O4 P2 S2 -","2","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.0346","0.0324","","","0.0819","0.0837","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215081","12.8415","0.0005","13.0797","0.0005","28.1381","0.0012","90","","109.006","0.001","90","","4468.5","0.3","150","2","150","2","","","","","","","synthesis","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C100 H224 Cl24 N32 O20 P16 Pd8 S8 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","0.71073","MoKα","","0.0826","0.0459","","","0.129","0.158","","","","","","0.946","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215082","11.6784","0.0002","5.6853","0.0001","23.4754","0.0003","90","","96.479","0.001","90","","1548.7","0.04","110","2","110","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C68 H68 N12 O16 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","1.54184","CuKα","","0.046","0.0389","","","0.0984","0.1055","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:34",""