# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:50:01+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 Chem.') AND volume = 17 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
"7218262","12.2796","0.0006","11.7459","0.0004","15.808","0.0009","90","","102.781","0.005","90","","2223.57","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1229","0.0597","","","0.1079","0.1339","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218263","16.581","0.005","11.236","0.005","14.597","0.005","90","0.005","90","0.005","90","0.005","2719.5","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1184","0.0975","","","0.2822","0.3089","","","","","","1.199","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218264","6.4263","0.0003","12.9536","0.0005","23.9037","0.0011","90","","97.062","0.005","90","","1974.74","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.095","0.0586","","","0.1367","0.1621","","","","","","1.025","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218288","29.745","0.011","5.802","0.002","19.967","0.008","90","","112.103","0.004","90","","3193","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","","Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun","Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions","Green Chem.","2015","17","1","209","","10.1039/C4GC01515K","","","0.71073","MoKα","","0.0593","0.0525","","","0.1152","0.119","","","","","","1.118","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218373","12.771","0.003","14.579","0.003","16.377","0.003","106.53","0.03","105.21","0.03","91.3","0.03","2805.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 I N O5 S -","- C30 I N O5 S -","- C60 I2 N2 O10 S2 -","2","1","","Xu, Shijie; Liu, Jianquan; Hu, Donghua; Bi, Xihe","Metal-free hydroacyloxylation and hydration reactions of ynamides: synthesis of α-acyloxyenamides and N-acylsulfonamides","Green Chem.","2015","17","1","184","","10.1039/C4GC01328J","","","0.71073","MoKα","","0.5924","0.5622","","","0.8534","0.8781","","","","","","5.814","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7218396","7.5759","0.0006","11.0478","0.001","23.488","0.002","90","","90","","90","","1965.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 -","- C22 H22 Cl N O2 -","- C88 H88 Cl4 N4 O8 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0956","0.0577","","","0.1418","0.1606","","","","","","0.997","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218397","10.0101","0.001","10.7765","0.001","15.5711","0.0014","90","","93.9","0.003","90","","1675.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0771","0.0551","","","0.132","0.1459","","","","","","1.047","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218398","10.6004","0.0018","13.375","0.002","16.069","0.002","82.836","0.004","71.805","0.005","89.343","0.005","2146.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","2","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.1751","0.0778","","","0.1928","0.2233","","","","","","0.964","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218562","11.4437","0.0004","22.5577","0.0008","8.1293","0.0003","90","","90","","90","","2098.53","0.13","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","1","","Li, Wenjun; Du, Zhiyun; Zhang, Kun; Wang, Jian","Organocatalytic 1,3-dipolar cycloaddition reaction of α,β-unsaturated ketones with azides through iminium catalysis","Green Chem.","2015","17","2","781","","10.1039/C4GC01929F","","","0.71073","MoKα","","0.0282","0.0219","","","0.0576","0.0597","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218563","16.4264","0.0014","10.8002","0.0009","17.5844","0.0015","90","","96.397","0.001","90","","3100.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H0 Mo8 N8 O26 -","- C40 Mo8 N8 O26 -","- C80 Mo16 N16 O52 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.0701","0.052","","","0.1348","0.1489","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218564","15.6345","0.0009","12.1211","0.0007","16.5893","0.001","90","","94.603","0.001","90","","3133.7","0.3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H0 Mo8 N4 O27 -","- C44 Mo8 N4 O27 -","- C88 Mo16 N8 O54 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.053","0.0415","","","0.1042","0.1109","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218747","10.1442","0.0016","11.7709","0.0018","15.044","0.002","109.125","0.008","97.344","0.007","109.259","0.008","1545.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 B F4 Ir N4 O2 -","- C24 H40 B F4 Ir N4 O2 -","- C48 H80 B2 F8 Ir2 N8 O4 -","2","1","","Manas, Michael G.; Campos, Jesús; Sharninghausen, Liam S.; Lin, Elisa; Crabtree, Robert H.","Selective catalytic oxidation of sugar alcohols to lactic acid","Green Chem.","2015","17","1","594","","10.1039/C4GC01694G","","","0.71073","MoKα","","0.0775","0.0502","","","0.1043","0.1168","","","","","","1.033","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218933","7.1861","0.0014","7.5759","0.0014","7.6549","0.0014","89.212","0.004","63.414","0.003","64.027","0.003","326.31","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Cl0 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","1","0.5","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.0815","0.0586","","","0.1434","0.1641","","","","","","0.953","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218934","7.404","0.003","9.672","0.003","9.341","0.003","90","","113.02","0.004","90","","615.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H Cu N7 O -","- C3 H Cu N7 O -","- C12 H4 Cu4 N28 O4 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1053","0.0837","","","0.2197","0.2321","","","","","","1.104","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218935","8.63","0.003","9.867","0.003","6.736","0.002","90","","108.297","0.006","90","","544.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 Cu N7 -","- C3 H2 Cu N7 -","- C12 H8 Cu4 N28 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1081","0.0775","","","0.1842","0.1993","","","","","","1.008","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218936","4.401","0.0003","12.3035","0.0009","14.8314","0.0011","90","","97.593","0.001","90","","796.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethane","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","","","0.0474","0.035","","","0.0863","0.0962","","","","","","1.038","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218937","3.8765","0.0004","12.2303","0.0013","16.1995","0.0018","90","","95.906","0.0017","90","","763.95","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethene","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","MoKα","","0.0635","0.0406","","","0.0764","0.0892","","","","","","1.03","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218993","7.4354","0.0015","15.648","0.003","21.424","0.004","90","","90","","90","","2492.7","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Cl N3 S -","- C14 H8 Cl N3 S -","- C112 H64 Cl8 N24 S8 -","8","1","","Wen, Li-Rong; Li, Shou-Lei; Zhang, Jian; Li, Ming","Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water","Green Chem.","2015","17","3","1581","","10.1039/C4GC02156H","","","0.71073","MoKα","","0.0446","0.0439","","","0.0959","0.0962","","","","","","1.22","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219006","11.0519","0.0008","13.5682","0.0009","19.4863","0.0016","107.546","0.002","96.181","0.001","109.124","0.002","2562.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N5 O2 -","- C30 H31 N5 O2 -","- C120 H124 N20 O8 -","4","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1291","0.0528","","","0.1003","0.1313","","","","","","1.022","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219007","18.6242","0.0019","10.3311","0.0007","29.295","0.003","90","","106.496","0.002","90","","5404.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N5 O2 -","- C31 H33 N5 O2 -","- C248 H264 N40 O16 -","8","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1669","0.0641","","","0.1687","0.2661","","","","","","1.064","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219041","14.5192","0.0008","4.971","0.0002","16.4551","0.0007","90","","106.074","0.005","90","","1141.21","0.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","1","","Marković, Violeta; Joksović, Milan D.","“On water” synthesis of N-unsubstituted pyrazoles: semicarbazide hydrochloride as an alternative to hydrazine for preparation of pyrazole-3-carboxylate derivatives and 3,5-disubstituted pyrazoles","Green Chem.","2015","17","2","842","","10.1039/C4GC02028F","","x-ray","0.71073","MoKα","","0.0685","0.0483","","","0.1277","0.1422","","","","","","1.04","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219093","13.883","0.003","14.024","0.003","15.361","0.004","109.019","0.003","106.371","0.002","98.531","0.004","2616","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0957","0.0737","","","0.1654","0.1846","","","","","","1.105","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219094","13.963","0.002","14.045","0.002","15.374","0.003","108.936","0.002","106.425","0.002","98.499","0.002","2638.4","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0675","0.0564","","","0.1586","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219095","13.74","0.02","14","0.04","15.31","0.03","109.27","0.07","106.002","0.004","98.57","0.02","2577","10","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.1288","0.0897","","","0.2305","0.2559","","","","","","1.06","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219176","12.291","0.003","7.4147","0.0015","34.667","0.007","90","","90","","90","","3159.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C144 H120 N8 O40 -","8","1","","Sharma, Siddharth; Singh, Ajay K.; Singh, Devendra; Kim, Dong-Pyo","Chemical fixation of carbon dioxide by copper catalyzed multicomponent reactions for oxazolidinedione syntheses","Green Chem.","2015","17","3","1404","","10.1039/C4GC02089H","","","0.71073","MoKα","","0.1129","0.0506","","","0.1125","0.1372","","","","","","1.016","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219241","15.4965","0.0007","16.8579","0.0007","12.6159","0.0006","90","","90","","90","","3295.8","0.3","153","2","153","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H62 Al3 Fe2 Li N4 O2 -","- C20 H62 Al3 Fe2 Li N4 O2 -","- C80 H248 Al12 Fe8 Li4 N16 O8 -","4","1","","Gieshoff, Tim N.; Villa, Matteo; Welther, Alice; Plois, Markus; Chakraborty, Uttam; Wolf, Robert; Jacobi von Wangelin, Axel","Iron-catalyzed olefin hydrogenation at 1 bar H2with a FeCl3‒LiAlH4catalyst","Green Chem.","2015","17","3","1408","","10.1039/C4GC02368D","","","0.71073","MoKα","","0.0489","0.0329","","","0.0678","0.0741","","","","","","1.019","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219331","11.9187","0.0017","9.8408","0.0015","24.353","0.004","90","","102.942","0.006","90","","2783.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N5 O -","- C33 H33 N5 O -","- C132 H132 N20 O4 -","4","1","","Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula","An enzymatic route to a benzocarbazole framework using bacterial CotA laccase","Green Chem.","2015","17","3","1429","","10.1039/C4GC02511C","","","0.71073","MoKα","","0.1543","0.0646","","","0.1185","0.1455","","","","","","0.889","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219518","9.1187","0.0009","10.839","0.001","12.4287","0.0011","66.309","0.001","88.214","0.002","81.725","0.002","1112.7","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","0.71073","MoKα","","0.1342","0.0595","","","0.0957","0.1339","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219519","8.5318","0.001","10.724","0.002","13.1003","0.0018","74.306","0.014","87.632","0.01","81.193","0.012","1140.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","1.54178","CuKα","","0.2516","0.1399","","","0.2392","0.2855","","","","","","1.19","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219548","7.5044","0.0013","11.9291","0.0019","14.8473","0.0019","90","","90","","90","","1329.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Ren, Lanhui; Wang, Lianyue; Lv, Ying; Shang, Sensen; Chen, Bo; Gao, Shuang","Synthesis of 6,7-dihydro-5H-cyclopenta[b]pyridin-5-one analogues through manganese-catalyzed oxidation of the CH2adjacent to pyridine moiety in water","Green Chem.","2015","17","4","2369","","10.1039/C4GC02471K","","","0.71073","MoKα","","0.0693","0.0552","","","0.1269","0.1383","","","","","","1.085","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219929","6.1459","0.0004","10.5542","0.0006","9.5004","0.0005","90","","93.777","0.002","90","","614.91","0.06","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl fluoromalonate","","- C5 H7 F O4 -","- C5 H7 F O4 -","- C20 H28 F4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham","Fluorine gas for life science syntheses: green metrics to assess selective direct fluorination for the synthesis of 2-fluoromalonate esters","Green Chem.","2015","17","5","3000","","10.1039/C5GC00402K","","x-ray","0.71073","MoKα","","0.0704","0.0568","","","0.1547","0.1716","","","","","","1.045","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220061","6.6676","0.0007","7.3731","0.0007","21.962","0.003","98.895","0.009","91.912","0.009","99.057","0.008","1051.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O3 -","- C24 H26 N4 O3 -","- C48 H52 N8 O6 -","2","1","","Schröder, Felix; Ojeda, Manuel; Erdmann, Nico; Jacobs, Jeroen; Luque, Rafael; Noël, Timothy; Van Meervelt, Luc; Van der Eycken, Johan; Van der Eycken, Erik V.","Supported gold nanoparticles as efficient and reusable heterogeneous catalyst for cycloisomerization reactions","Green Chem.","2015","17","6","3314","","10.1039/C5GC00430F","","","0.7107","MoKα","","0.0632","0.0563","","","0.1475","0.1519","","","","","","1.076","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220062","13.3119","0.0005","10.7033","0.0004","13.8141","0.0004","90","","91.8261","0.0012","90","","1967.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","quinoline fused isoxazole","quinoline","","- C22 H16 F N5 O3 -","- C22 H16 F N5 O3 -","- C88 H64 F4 N20 O12 -","4","1","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.0512","0.0373","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220063","24.9048","0.0006","9.498","0.0002","22.2694","0.0006","90","","110.723","0.001","90","","4926.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","spiro","","- C30 H22 N4 O4.5 S0.5 -","- C30 H22 N4 O4.5 S0.5 -","- C240 H176 N32 O36 S4 -","8","2","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.2374","0.0662","","","0.1511","0.2177","","","","","","0.942","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7220409","11.88","0.007","16.051","0.008","26.14","0.013","90","","90","","90","","4985","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 -","- C29 H24.5 Cl N2 O3 -","- C232 H196 Cl8 N16 O24 -","8","2","","Vivekanand, Thavaraj; Vinoth, Perumal; Agieshkumar, B.; Sampath, Natarajan; Sudalai, Arumugam; Menéndez, J. Carlos; Sridharan, Vellaisamy","Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation‒Michael addition‒cyclization sequence under catalyst- and solvent-free conditions","Green Chem.","2015","17","6","3415","","10.1039/C5GC00365B","","","0.71073","MoKα","","0.2031","0.0466","","","0.0971","0.1327","","","","","","0.869","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7220410","8.6065","0.0001","7.1858","0.0001","11.184","0.0002","90","","110.985","0.001","90","","645.794","0.017","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.0318","0.0308","","","0.0829","0.084","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220411","13.5271","0.0006","7.4112","0.0003","16.501","0.0008","90","","94.763","0.001","90","","1648.55","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-(3-ethyl-4-nitroisoxazol-5-yl)ethyl)-3-hydroxy-5-methoxyindolin-2-one","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.119","0.0601","","","0.1505","0.183","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220412","6.3186","0.0004","11.7574","0.0008","16.3886","0.0012","90","","95.537","0.007","90","","1211.83","0.14","294.68","0.1","294.68","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4-amino-3-methylisoxazol-5-yl)methyl)-3-hydroxyindolin-2-one","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.1323","0.0673","","","0.1278","0.1623","","","","","","1.041","","","","has coordinates","143712","2020-10-21","18:00:00",""
"7220413","8.1437","0.0016","11.826","0.002","12.4","0.003","73.31","0.03","88.33","0.03","79.7","0.03","1125.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N1,N1-dimethyl-N4,2-ditosylbenzene-1,4-diamine","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C44 H48 N4 O8 S4 -","2","1","","Khazalpour, Sadegh; Nematollahi, Davood","Electrochemical and chemical synthesis of different types of sulfonamide derivatives of N,N-dimethyl-1,4-benzenediamine using 4-nitroso-N,N-dimethylaniline","Green Chem.","2015","17","6","3508","","10.1039/C5GC00438A","","","0.71073","MoKα","","0.0698","0.0526","","","0.1283","0.1333","","","","","","0.816","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220414","9.441","0.005","10.287","0.005","13.246","0.005","100.627","0.005","94.498","0.005","108.144","0.005","1188.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C58 H48 N4 O10 -","2","1","","Sarkar, Piyali; Mukhopadhyay, Chhanda","Single step incorporation of carboxylic acid groups in the lower rim of calix[4]arenes: a recyclable catalyst towards assembly of diverse five ring fused acridines","Green Chem.","2015","17","6","3452","","10.1039/C5GC00156K","","","0.71073","MoKα","","0.0525","0.0473","","","0.1212","0.1281","","","","","","1.03","","","","has coordinates","143715","2020-10-21","18:00:00",""
"7220686","7.534","0.003","10.682","0.004","16.411","0.005","90","","102.32","0.03","90","","1290.3","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Tafeenko, V. A.; Nasakin, O. E.","Glycine catalyzed diastereoselective domino-synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles in water","Green Chem.","2015","17","8","4234","","10.1039/C5GC00909J","","","1.54184","CuKα","","0.0494","0.0438","","","0.1216","0.1269","","","","","","1.045","","","","has coordinates","153241","2020-10-21","18:00:00",""
"7220977","9.6788","0.0003","9.6941","0.0003","12.4864","0.0004","86.025","0.002","86.707","0.002","89.675","0.002","1166.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[P4444][H(OAc)2]","tetrabutylphosphonium hydrogendiethanoate","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.0435","0.0372","","","0.0956","0.0994","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220978","10.569","0.005","11.627","0.005","31.826","0.005","90","0.005","90.812","0.005","90","0.005","3911","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[P4444][HCO3]","tetrabutylphosphonium hydrogencarbonate","","- C34 H74 O6 P2 -","- C34 H74 O6 P2 -","- C136 H296 O24 P8 -","4","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.135","0.0567","","","0.117","0.1331","","","","","","0.88","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220979","11.5582","0.0007","12.3717","0.0007","23.8099","0.0018","90","","90","","90","","3404.7","0.4","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 B F4 N2 -","- C20 H15 B F4 N2 -","- C160 H120 B8 F32 N16 -","8","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C‒N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0714","0.0499","","","0.1221","0.1362","","","","","","1.026","","","","has coordinates,has disorder","162001","2020-10-21","18:00:00",""
"7220980","8.5758","0.0006","10.4878","0.0007","12.8368","0.0008","75.32","0.002","78.092","0.002","74.019","0.002","1062.06","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 B F4 N3 -","- C26 H20 B F4 N3 -","- C52 H40 B2 F8 N6 -","2","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C‒N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0506","0.0379","","","0.0934","0.1019","","","","","","1.033","","","","has coordinates","162001","2020-10-21","18:00:00",""
"7221692","7.668","0.0005","8.3022","0.0006","13.5405","0.0006","83.606","0.005","81.922","0.005","70.403","0.006","802.11","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 N2 O2 Ru -","- C15 H14 Cl2 N2 O2 Ru -","- C30 H28 Cl4 N4 O4 Ru2 -","2","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0493","0.0489","","","0.1363","0.1368","","","","","","1.093","","","","has coordinates","162006","2020-10-21","18:00:00",""
"7221693","17.072","0.0002","12.3086","0.0001","9.1013","0.0001","90","","100.9","0.001","90","","1877.97","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 Ru -","- C19 H22 Cl2 N2 Ru -","- C76 H88 Cl8 N8 Ru4 -","4","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0271","0.0267","","","0.0705","0.0709","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222112","23.0884","0.0007","10.4956","0.0004","7.3329","0.0002","90","","90","","90","","1776.96","0.1","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","1.54178","CuKα","","0.0366","0.0315","","","0.0791","0.0818","","","","","","1.029","","","","has coordinates","161996","2020-10-21","18:00:00",""
"7222113","22.9356","0.0009","10.4908","0.0004","7.3765","0.0003","90","","90","","90","","1774.88","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1151","0.1229","","","","","","1.092","","","","has coordinates,has disorder","161996","2020-10-21","18:00:00",""