# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T12:51:29+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 = 15 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
"7209200","5.955","0.003","7.46","0.003","19.878","0.008","90","","90","","90","","883.1","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones","Green Chemistry","2013","15","2","425","","10.1039/c2gc36414j","","","0.7107","MoKα","","","0.0299","","","","0.0924","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209250","20.8671","0.0008","10.4343","0.0004","18.53","0.0007","90","","101.947","0.002","90","","3947.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","XST-FG-3","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Xu, Shengtao; Zhou, Yu; Xu, Jinyi; Jiang, Hualiang; Liu, Hong","Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water","Green Chemistry","2013","15","3","718","","10.1039/c2gc36301a","","","0.71073","MoKα","","0.0419","0.0383","","","0.102","0.1051","","","","","","1.043","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209293","16.9","0.02","27.54","0.03","8.179","0.01","90","","90","","90","","3807","8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H56 Cu I N4 O2 -","- C37 H56 Cu I N4 O2 -","- C148 H224 Cu4 I4 N16 O8 -","4","0.5","","Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei","pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide","Green Chemistry","2013","15","3","635","","10.1039/c3gc36830k","","","0.71073","MoKα","","0.182","0.1183","","","0.261","0.2871","","","","","","1.112","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209840","7.4617","0.0015","7.5189","0.0018","9.84","0.002","109.76","0.02","90.103","0.017","90.706","0.018","519.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S2 -","- C10 H8 N2 O S2 -","- C20 H16 N4 O2 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0637","0.0426","","","0.0991","0.1154","","","","","","1.024","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209841","8.0015","0.0006","8.1903","0.0006","9.1812","0.0006","85.565","0.005","75.327","0.006","86.509","0.006","579.79","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C11H10N2O2S2","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0678","0.0453","","","0.1078","0.1238","","","","","","1.016","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209842","9.5564","0.0013","16.83","0.002","7.9596","0.001","90","","98.532","0.001","90","","1266","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Shen, Shao-Chun; Sun, Xing-Wen; Lin, Guo-Qiang","An eco-benign and highly efficient access to 3-heterocyclic-substituted isoindolinones in ammonia water","Green Chemistry","2013","15","4","896","","10.1039/c3gc40162f","","","0.71073","MoKα","","0.056","0.0399","","","0.0983","0.11","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7210021","5.569","0.002","24.721","0.01","13.606","0.006","90","","101.183","0.005","90","","1837.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O S -","- C21 H18 Br N O S -","- C84 H72 Br4 N4 O4 S4 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.1003","0.0703","","","0.1894","0.2097","","","","","","1.027","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210022","19.1534","0.001","10.4617","0.0005","12.4228","0.0006","90","","104.23","0.002","90","","2412.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0935","0.0517","","","0.1301","0.1553","","","","","","0.993","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210023","16.0558","0.0004","13.068","0.0004","11.5754","0.0004","90","","122.419","0.002","90","","2050.2","0.12","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H23 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0642","0.0554","","","0.1694","0.1855","","","","","","0.839","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210450","6.4063","0.001","8.1667","0.0013","23.311","0.004","90","","90","","90","","1219.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(HCaf)(HSO4)","Caffeinium Hydrogensulfate","","- C8 H12 N4 O6 S -","- C8 H12 N4 O6 S -","- C32 H48 N16 O24 S4 -","4","1","","Mottillo, Cristina; Lu, Yuneng; Pham, Minh-Hao; Cliffe, Matthew J.; Do, Trong-On; Friščić, Tomislav","Mineral neogenesis as an inspiration for mild, solvent-free synthesis of bulk microporous metal‒organic frameworks from metal (Zn, Co) oxides","Green Chemistry","2013","15","8","2121","","10.1039/c3gc40520f","","","0.71073","MoKα","","0.0712","0.043","","","0.0897","0.1006","","","","","","0.955","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210451","7.3073","0.0003","7.1368","0.0003","15.6263","0.0007","90","","91.452","0.002","90","","814.66","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl N O2 -","- C8 H6 Cl N O2 -","- C32 H24 Cl4 N4 O8 -","4","1","","Deadman, Benjamin J.; Battilocchio, Claudio; Sliwinski, Eric; Ley, Steven V.","A prototype device for evaporation in batch and flow chemical processes","Green Chemistry","2013","15","8","2050","","10.1039/c3gc40967h","","","0.71073","MoKα","","0.0625","0.0541","","","0.1546","0.1594","","","","","","1.085","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210452","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","García-Álvarez, Rocío; Zablocka, Maria; Crochet, Pascale; Duhayon, Carine; Majoral, Jean-Pierre; Cadierno, Victorio","Thiazolyl-phosphine hydrochloride salts: effective auxiliary ligands for ruthenium-catalyzed nitrile hydration reactions and related amide bond forming processes in water","Green Chemistry","2013","15","9","2447","","10.1039/c3gc41201f","","","0.71073","MoKα","","0.0953","0.0588","","0.0941","0.0708","0.0708","","","","","","1.1169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211311","8.1356","0.0009","10.6065","0.0013","12.462","0.0015","91.571","0.006","105.781","0.006","100.384","0.006","1014.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N4 O5 -","- C21 H21 N4 O5 -","- C42 H42 N8 O10 -","2","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.051","0.0447","","","0.1293","0.1366","","","","","","1.014","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211312","12.2016","0.0005","13.6995","0.0005","15.4526","0.0005","90","","110.166","0.002","90","","2424.65","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N4 O4 -","- C24 H23 N4 O4 -","- C96 H92 N16 O16 -","4","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.0799","0.0604","","","0.2001","0.2121","","","","","","1.103","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211313","9.7594","0.0004","18.5524","0.0006","18.8335","0.0005","90","","90","","90","","3410","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl6 O8 -","- C30 H36 Cl6 O8 -","- C120 H144 Cl24 O32 -","4","1","","Haldar, Saikat; Kolet, Swati P.; Thulasiram, Hirekodathakallu V.","Biocatalysis: fungi mediated novel and selective 12β- or 17β-hydroxylation on the basic limonoid skeleton","Green Chemistry","2013","15","5","1311","","10.1039/c3gc40193f","","","0.71073","MoKα","","0.064","0.0553","","","0.1667","0.1767","","","","","","1.262","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211314","18.8143","0.0002","18.2714","0.0002","14.9031","0.0002","90","","117.805","0.0004","90","","4531.61","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H33 Cl Ni O3 P2 -","- C19 H33 Cl Ni O3 P2 -","- C152 H264 Cl8 Ni8 O24 P16 -","8","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0265","0.0253","","","0.0951","0.0984","","","","","","0.918","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211315","15.908","0.0012","13.0746","0.001","11.134","0.0008","90","","91.464","0.003","90","","2315","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl Ni O4 P2 -","- C20 H33 Cl Ni O4 P2 -","- C80 H132 Cl4 Ni4 O16 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0305","0.0304","","","0.0844","0.0845","","","","","","1.004","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211316","10.4275","0.0004","14.033","0.0005","20.573","0.0007","90","","101.18","0.001","90","","2953.3","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl Ni O2 P2 -","- C26 H47 Cl Ni O2 P2 -","- C104 H188 Cl4 Ni4 O8 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0464","0.0448","","","0.1176","0.1192","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211317","10.293","0.001","11.524","0.002","15.213","0.002","78.18","0.01","84.68","0.01","76.56","0.01","1715.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O10 -","- C38 H38 O10 -","- C76 H76 O20 -","2","1","","Forsythe, W. Graham; Garrett, Mark D.; Hardacre, Christopher; Nieuwenhuyzen, Mark; Sheldrake, Gary N.","An efficient and flexible synthesis of model lignin oligomers","Green Chemistry","2013","15","11","3031","","10.1039/c3gc41110a","","","0.71073","MoKα","","0.118","0.0749","","","0.2063","0.2511","","","","","","1.045","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211318","16.032","0.004","11.544","0.003","32.695","0.007","90","","90.772","0.004","90","","6050","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N9 O3 -","- C33 H27 N9 O3 -","- C264 H216 N72 O24 -","8","2","","Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Yu, Yang; Wang, Peng; Li, Yan-An; Wang, Kui; Dong, Yu-Bin","A self-assembled Pd6L8 nanoball for Suzuki‒Miyaura coupling reactions in both homogeneous and heterogeneous formats","Green Chemistry","2013","15","11","3150","","10.1039/c3gc41154k","","","0.71073","MoKα","","0.1221","0.0663","","","0.1361","0.1631","","","","","","1.024","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211319","17.2201","0.0016","15.7615","0.0014","19.2134","0.0018","90","","90","","90","","5214.8","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Cl6 Fe N O4 -","- C25 H20 Cl6 Fe N O4 -","- C200 H160 Cl48 Fe8 N8 O32 -","8","1","","Taherimehr, Masoumeh; Al-Amsyar, Syed M.; Whiteoak, Christopher J.; Kleij, Arjan W.; Pescarmona, Paolo P.","High activity and switchable selectivity in the synthesis of cyclic and polymeric cyclohexene carbonates with iron amino triphenolate catalysts","Green Chemistry","2013","15","11","3083","","10.1039/c3gc41303a","","","0.71073","MoKα","","0.0588","0.0381","","","0.0823","0.0925","","","","","","1.04","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211320","7.7968","0.0002","21.1512","0.0005","9.1046","0.0003","90","","114.189","0.003","90","","1369.63","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0378","0.0329","","","0.09","0.0941","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211321","12.8287","0.0003","7.9789","0.0003","24.2643","0.0009","90","","90","","90","","2483.67","0.14","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0525","0.0438","","","0.1128","0.1191","","","","","","1.032","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211322","15.7243","0.0011","5.0123","0.0003","18.5815","0.0012","90","","107.285","0.007","90","","1398.36","0.17","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0436","0.0362","","","0.0987","0.1048","","","","","","1.048","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211491","29.861","0.003","10.2141","0.0011","21.675","0.002","90","","117.455","0.001","90","","5866.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl N O7 -","- C32 H26 Cl N O7 -","- C256 H208 Cl8 N8 O56 -","8","1","","Wang, Huiyan; Liu, Xuecheng; Feng, Xian; Huang, Zhibin; Shi, Daqing","GAP chemistry for pyrrolyl coumarin derivatives: a highly efficient one-pot synthesis under catalyst-free conditions","Green Chemistry","2013","15","12","3307","","10.1039/c3gc41799a","","","0.71073","MoKα","","0.1042","0.0517","","","0.1258","0.1518","","","","","","1.018","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""