Crystallography Open Database

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7211496 CIFC15 H22 N2 O3P b c a12.2357; 7.5855; 31.232
90; 90; 90
2898.8Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis
Green Chemistry, 2010, 12, 1036
7211497 CIFC15 H21 Br N2 O3P 21 21 217.0621; 13.9243; 16.421
90; 90; 90
1614.8Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis
Green Chemistry, 2010, 12, 1036
7211498 CIFC23 H38 N2 O3P 1 21/n 111.637; 10.801; 19.312
90; 103.443; 90
2361Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis
Green Chemistry, 2010, 12, 1036
7211499 CIFC14 H21 N3 O2P 1 21/c 115.067; 10.15; 9.665
90; 104.544; 90
1430.7Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis
Green Chemistry, 2010, 12, 1036
7212125 CIFC8 H14 N2 O3P 1 21/n 16.8805; 11.6254; 11.9614
90; 96.229; 90
951.13Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.
New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores
Green Chemistry, 2010, 12, 491
7212126 CIFC7 H14 N2 O4P 1 21/n 17.479; 13.289; 9.636
90; 95.011; 90
954Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.
New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores
Green Chemistry, 2010, 12, 491
7212127 CIFC7 H15 N O3P 1 21/n 16.6199; 13.9451; 9.2587
90; 101.76; 90
836.78Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.
New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores
Green Chemistry, 2010, 12, 491
7212281 CIFC18 H20 N2 O2P 1 21 18.4078; 8.3744; 11.4399
90; 98.698; 90
796.22Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume
Solvent-free microwave-assisted Meyers’ lactamization
Green Chemistry, 2010, 12, 961
7212282 CIFC12 H17 N O4C 1 2 117.5352; 7.6758; 10.0025
90; 113.78; 90
1232Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume
Solvent-free microwave-assisted Meyers’ lactamization
Green Chemistry, 2010, 12, 961
7212362 CIFC20 H15 N O2C 1 2/c 122.045; 9.268; 17.8038
90; 124.751; 90
2988.74Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa
‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)
Green Chemistry, 2010, 12, 1090
7212363 CIFC15 H17 N O6P 1 21/n 17.1337; 26.8903; 7.6505
90; 90.614; 90
1467.49Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa
‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)
Green Chemistry, 2010, 12, 1090
7212364 CIFC13 H13 N O2P c a b9.1168; 13.8294; 17.2443
90; 90; 90
2174.16Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa
‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)
Green Chemistry, 2010, 12, 1090
7212365 CIFC11 H13 N O5P 21 21 218.449; 11.2583; 12.0738
90; 90; 90
1148.5Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa
‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)
Green Chemistry, 2010, 12, 1090
7212382 CIFC13 H16 O2P 1 21/n 113.286; 5.6083; 15.808
90; 95.142; 90
1173.1Liu, Pei Nian; Xia, Fei; Wang, Qing Wei; Ren, Yu Jie; Chen, Jun Qin
Triflic acid adsorbed on silica gel as an efficient and recyclable catalyst for the addition of β-dicarbonyl compounds to alcohols and alkenes
Green Chemistry, 2010, 12, 1049
7212399 CIFC13 H17 N O2P -15.7313; 11.8701; 18.407
72.324; 85.809; 79.963
1174.6Feng, Li-Chun; Sun, Ya-Wei; Tang, Wei-Jun; Xu, Li-Jin; Lam, Kim-Lung; Zhou, Zhongyuan; Chan, Albert S. C.
Highly efficient chemoselective construction of 2,2-dimethyl-6-substituted 4-piperidones via multi-component tandem Mannich reaction in ionic liquids
Green Chemistry, 2010, 12, 949
7212674 CIFC48 H32 F8 N12 Ru2P 1 21/c 19.6596; 38.8963; 12.5248
90; 102.989; 90
4585.4Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Urbanos, Francisco A.
First microwave synthesis of multiple metal-metal bond paddlewheel compounds
Green Chemistry, 2010, 12, 965
7212698 CIFC48 H93 Cl5 Cu2 N6P -18.8041; 12.5714; 25.282
89.005; 89.757; 86.052
2791.1Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Green Chemistry, 2010, 12, 1589
7212699 CIFC60 H112 Cu F6 N8 PP -111.7007; 13.6056; 21.043
91.893; 94.239; 100.766
3278.2Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Green Chemistry, 2010, 12, 1589
7212700 CIFC90 H168 Cu6 I6 N12P -19.7553; 13.5795; 20.6572
106.873; 94.154; 95.814
2590.3Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Green Chemistry, 2010, 12, 1589
7212701 CIFC64 H124 Br8 Cu4 N8P -110.3068; 16.172; 25.595
73.875; 87.515; 87.742
4092.9Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Green Chemistry, 2010, 12, 1589
7212702 CIFC30 H56 Br2 Cu2 N4P -19.002; 9.454; 20.757
85.74; 87.75; 78.95
1728.4Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Green Chemistry, 2010, 12, 1589
7212731 CIFC22 H19 N O2P -19.2376; 14.5788; 14.9383
66.775; 74.994; 74.785
1756.3Zhou, Yu; Zhai, Yun; Li, Jian; Ye, Deju; Jiang, Hualiang; Liu, Hong
Metal-free tandem reaction in water: An efficient and regioselective synthesis of 3-hydroxyisoindolin-1-ones
Green Chemistry, 2010, 12, 1397
7212732 CIFC14 H14 B Bi F4 O SP 1 21/c 113.8004; 11.5529; 9.8253
90; 93.005; 90
1564.34Qiu, Renhua; Qiu, Yimiao; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Xu, Xinhua; Zhang, Xiaowen; Luo, Shenglian; Au, Chak-Tong; Wong, Wai-Yeung
Facile separation catalyst system: direct diastereoselective synthesis of (E)-α,β-unsaturated ketones catalyzed by an air-stable Lewis acidic/basic bifunctional organobismuth complex in ionic liquids
Green Chemistry, 2010, 12, 1767
7212907 CIFC20 H26 O4 SP 21 21 219.3439; 13.2412; 15.8279
90; 90; 90
1958.3Rosini, Goffredo; Paolucci, Claudio; Boschi, Francesca; Marotta, Emanuela; Righi, Paolo; Tozzi, Francesco
Acid promoted CIDT for the deracemization of dihydrocinnamic aldehydes with Betti's base
Green Chemistry, 2010, 12, 1747
7212908 CIFC26 H26 F2 N2 O6 SP 1 21/c 114.6241; 20.681; 8.745
90; 90.538; 90
2644.7Ma, Ning; Jiang, Bo; Zhang, Ge; Tu, Shu-Jiang; Wever, Walter; Li, Guigen
New multicomponent domino reactions (MDRs) in water: highly chemo-, regio- and stereoselective synthesis of spiro{[1,3]dioxanopyridine}-4,6-diones and pyrazolo[3,4-b]pyridines
Green Chemistry, 2010, 12, 1357
7212909 CIFC20 H44 Cu F6 N8 O4 P5 S2P -110.4612; 11.6733; 15.4745
80.696; 70.225; 83.182
1750.69García-Álvarez, Joaquín; Díez, Josefina; Gimeno, José
A highly efficient copper(i) catalyst for the 1,3-dipolar cycloaddition of azides with terminal and 1-iodoalkynes in water: regioselective synthesis of 1,4-disubstituted and 1,4,5-trisubstituted 1,2,3-triazoles
Green Chemistry, 2010, 12, 2127
7212910 CIFC15 H12 I N3 SP 1 21/c 114.5177; 7.2359; 14.3593
90; 101.588; 90
1477.68García-Álvarez, Joaquín; Díez, Josefina; Gimeno, José
A highly efficient copper(i) catalyst for the 1,3-dipolar cycloaddition of azides with terminal and 1-iodoalkynes in water: regioselective synthesis of 1,4-disubstituted and 1,4,5-trisubstituted 1,2,3-triazoles
Green Chemistry, 2010, 12, 2127
7212911 CIFC20 H22 F3 N2 O4.5R -3 :H35.238; 35.238; 8.3319
90; 90; 120
8959.8Yan, Shengjiao; Chen, Yulan; Liu, Lin; He, Nengqin; Lin, Jun
Three-component solvent-free synthesis of highly substituted bicyclic pyridines containing a ring-junction nitrogen
Green Chemistry, 2010, 12, 2043
7212939 CIFK0.7 Na0.3 Nb O3A m m 23.970162; 5.67111; 5.69467
90; 90; 90
128.217Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212940 CIFK0.7 Na0.3 Nb O3A m m 23.96867; 5.67069; 5.69626
90; 90; 90
128.195Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212941 CIFK0.7 Na0.3 Nb O3A m m 23.97024; 5.662; 5.68624
90; 90; 90
127.82Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212942 CIFK0.7 Na0.3 Nb O3A m m 23.96136; 5.65428; 5.68474
90; 90; 90
127.33Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212943 CIFK0.93 Na0.07 Nb O3A m m 23.98381; 5.689; 5.70757
90; 90; 90
129.356Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212944 CIFK0.903 Na0.097 Nb O3A m m 23.981973; 5.68731; 5.70733
90; 90; 90
129.252Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212945 CIFK0.86 Na0.14 Nb O3A m m 23.977443; 5.68725; 5.70678
90; 90; 90
129.091Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212946 CIFK0.84 Na0.16 Nb O3A m m 23.973479; 5.68046; 5.70266
90; 90; 90
128.716Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212947 CIFK0.83 Na0.17 Nb O3A m m 23.973479; 5.68046; 5.70266
90; 90; 90
128.716Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212948 CIFK0.77 Na0.23 Nb O3A m m 23.972623; 5.68015; 5.7037
90; 90; 90
128.705Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212949 CIFK0.73 Na0.27 Nb O3A m m 23.97304; 5.67576; 5.69703
90; 90; 90
128.468Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212950 CIFK0.75 Na0.25 Nb O3A m m 23.970626; 5.67573; 5.69855
90; 90; 90
128.424Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7212951 CIFK0.72 Na0.28 Nb O3A m m 23.96953; 5.6731; 5.69719
90; 90; 90
128.298Handoko, Albertus D.; Goh, Gregory K. L.
Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C
Green Chemistry, 2010, 12, 680
7214116 CIFC25 H19 N O5P 1 21/c 120.6371; 11.0516; 20.5751
90; 119.356; 90
4090Muthusaravanan, Sivasubramanian; Sasikumar, Chinnathambi; Devi Bala, Balasubramanian; Perumal, Subbu
An eco-friendly three-component regio- and stereoselective synthesis of highly functionalized dihydroindeno[1,2-b]pyrroles under grinding
Green Chemistry, 2014, 16, 1297
7214117 CIFC9 H21 N O3P c c n14.5983; 20.935; 8.5228
90; 90; 90
2604.7Vanderveen, Jesse R.; Durelle, Jeremy; Jessop, Philip G.
Design and evaluation of switchable-hydrophilicity solvents
Green Chemistry, 2014, 16, 1187
7214118 CIFC20 H14 N2 O3P 1 21/c 19.0629; 11.2174; 16.215
90; 104.835; 90
1593.5Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda
Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester
Green Chemistry, 2014, 16, 1426
7214119 CIFC21 H16 N2 OP 1 21 110.0929; 6.337; 12.8314
90; 100.192; 90
807.73Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda
Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester
Green Chemistry, 2014, 16, 1426
7214120 CIFC26 H17 N O5P -16.937; 11.638; 13.019
75.535; 89.874; 76.165
986.4Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda
Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester
Green Chemistry, 2014, 16, 1426
7214121 CIFC22 H27 N3 O3P -18.6867; 11.0032; 12.0059
70.06; 84.209; 76.001
1046.5Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda
Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester
Green Chemistry, 2014, 16, 1426
7214122 CIFC7 H5 Br2 O2 ReP 1 21/m 16.892; 8.967; 8.538
90; 112.7; 90
486.8Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav
A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes
Green Chemistry, 2014, 16, 1087
7214123 CIFC7 H5 Br2 O2 ReP 1 21/m 16.34; 12.504; 6.4937
90; 109.161; 90
486.27Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav
A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes
Green Chemistry, 2014, 16, 1087
7214124 CIFC7 H5 Cl2 O2 ReP 1 21/m 16.2456; 12.2155; 6.2656
90; 106.932; 90
457.3Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav
A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes
Green Chemistry, 2014, 16, 1087

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