Crystallography Open Database

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4036367 CIFC23 H18 Cl N O4P 1 21 18.1242; 5.5478; 21.829
90; 92.466; 90
983Saha, Prasenjit; Biswas, Arnab; Molleti, Nagaraju; Singh, Vinod K.
Enantioselective Synthesis of Highly Substituted Chromans via the Oxa-Michael-Michael Cascade Reaction with a Bifunctional Organocatalyst.
The Journal of organic chemistry, 2015, 80, 11115-11122
4036368 CIFC27 H30 N3 O7P 21 21 219.588; 12.774; 21.6395
90; 90; 90
2650.34Yin, Chengkai; Lin, Lili; Zhang, Dong; Feng, Juhua; Liu, Xiaohua; Feng, Xiaoming
Asymmetric [3 + 2] Cycloaddition of Methyleneindolinones with N,N'-Cyclic Azomethine Imines Catalyzed by a N,N'-Dioxide-Mg(OTf)2 Complex.
The Journal of organic chemistry, 2015, 80, 9691-9699
4036369 CIFC24 H26 Cl2 N O P Pd SP 21 21 218.6835; 10.0878; 27.4865
90; 90; 90
2407.75McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.
Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.
The Journal of organic chemistry, 2015, 80, 10151-10162
4036370 CIFC71 H63 Cl13 N2 O2 P2 Pd2 S2C 1 2 116.7993; 9.8937; 22.8314
90; 100.574; 90
3730.3McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.
Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.
The Journal of organic chemistry, 2015, 80, 10151-10162
4036371 CIFC31 H34 Cl4 Fe N O P PdP 1 21 19.1192; 15.7386; 11.5249
90; 106.157; 90
1588.76McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.
Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.
The Journal of organic chemistry, 2015, 80, 10151-10162
4036372 CIFC67 H78 Fe2 N2 O4P 1 21 19.65882; 10.60526; 27.9871
90; 97.2543; 90
2843.89Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036373 CIFC34 H41 Fe N O2 SiP 21 21 217.46927; 19.6221; 20.6504
90; 90; 90
3026.58Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036374 CIFC74.5 H94 Fe4 Li4 N4 O8C 2 2 2117.2354; 25.5309; 16.9029
90; 90; 90
7437.87Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036375 CIFC63 H68 Cl2 Fe2 N2 O4I 1 2 19.4054; 10.8382; 28.0924
90; 97.196; 90
2841.12Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036376 CIFC39 H41 Fe3 N O2C 1 2 122.5647; 9.7136; 15.1484
90; 104.989; 90
3207.32Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036377 CIFC27 H29 N O2P 18.32646; 10.47455; 13.76824
110.587; 96.9805; 91.5538
1112.64Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4036378 CIFC27 H35 N3 O2P 21 21 219.54492; 12.68954; 19.9983
90; 90; 90
2422.21O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036379 CIFC26 H33 N3 O2P 31 2 19.51079; 9.51079; 44.3094
90; 90; 120
3471.04O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036380 CIFC29 H31 N3 O2P 19.86627; 10.19647; 13.1369
112.441; 90.0964; 91.9641
1220.63O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036381 CIFC30 H32 Cl2 Fe N3 O2P 1 21 18.4077; 17.5482; 9.456
90; 94.439; 90
1390.95O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036382 CIFC28 H37 Cl4 N3 O2 ZnP 1 21 19.9185; 10.6832; 14.5573
90; 94.336; 90
1538.1O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036383 CIFC27 H35 Cl2 N3 O2 ZnP 21 21 219.3141; 11.2722; 26.2759
90; 90; 90
2758.72O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
The Journal of organic chemistry, 2015, 80, 10177-10186
4036384 CIFC26 H28 O6P 1 21/c 110.214; 15.8; 14.488
90; 105.811; 90
2249.6Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036385 CIFC52 H52 Cl4 O12C 1 2/c 129.035; 9.629; 20.038
90; 121.711; 90
4766Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036386 CIFC45.33 H42.67 O8P 1 21/c 119.478; 13.91; 21.979
90; 112.681; 90
5494.4Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036387 CIFC24 H24 O4P 21 21 219.872; 12.077; 16.125
90; 90; 90
1922.5Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036388 CIFC52 H56 O12P b c a7.968; 20.772; 26.086
90; 90; 90
4318Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036389 CIFC24 H36 O4P 1 21/n 112.61; 10.614; 15.843
90; 95.485; 90
2110.8Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036390 CIFC24 H24 O4P -17.992; 9.923; 12.384
82.119; 86.351; 83.885
966.1Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036391 CIFC26 H28 O4P -18.018; 9.654; 14.715
81.337; 80.762; 69.641
1048.5Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036392 CIFC20 H19 N O4P 1 21/n 116.482; 9.0409; 22.9016
90; 106.472; 90
3272.6Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036393 CIFC42 H55 O6P 21 21 2112.5302; 13.0867; 22.9933
90; 90; 90
3770.4Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036394 CIFC42 H54 F2 O6P 1 21 114.06; 9.757; 15.785
90; 96.018; 90
2153.5Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
The Journal of organic chemistry, 2015, 80, 9700-9712
4036395 CIFC17 H13 N OP 21 21 215.5809; 14.442; 16.1693
90; 90; 90
1303.24Chinta, Bhavani Shankar; Baire, Beeraiah
Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.
The Journal of organic chemistry, 2015, 80, 10208-10217
4036396 CIFC16 H14 O2P b c a11.97; 7.4348; 29.213
90; 90; 90
2599.8Chinta, Bhavani Shankar; Baire, Beeraiah
Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.
The Journal of organic chemistry, 2015, 80, 10208-10217
4036397 CIFC25 H18 O2C 1 2/c 143.875; 8.776; 19.789
90; 98.921; 90
7528Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun
1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.
The Journal of organic chemistry, 2015, 80, 11123-11130
4036398 CIFC29 H32 O2P 1 21/c 113.417; 19.553; 9.7821
90; 108.595; 90
2432.3Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun
1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.
The Journal of organic chemistry, 2015, 80, 11123-11130
4036399 CIFC54 H54 N8 O12 S2P -113.239; 15.838; 17.467
90.102; 106.346; 112.778
3214.9Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin
Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.
The Journal of organic chemistry, 2015, 80, 10380-10385
4036400 CIFC24 H22 N4 O5 SP 1 21/c 116.284; 7.5128; 19.09
90; 108.77; 90
2211.2Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin
Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.
The Journal of organic chemistry, 2015, 80, 10380-10385
4036401 CIFC27.5 H30.5 Cl1.5 N2 O3P 21 21 219.96; 18.65; 28.449
90; 90; 90
5284.5Attaba, Nassilia; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Enantioselective NHC-Catalyzed Redox [4 + 2]-Hetero-Diels-Alder Reactions Using α,β-Unsaturated Trichloromethyl Ketones as Amide Equivalents.
The Journal of organic chemistry, 2015, 80, 9728-9739
4036402 CIFC5 H6 Cl N O4 S2P 1 21/c 15.0223; 11.561; 16.488
90; 96.509; 90
951.2Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G
Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
The Journal of organic chemistry, 2015, 80, 11313-11321
4036403 CIFC14 H18 N2 O4 S2C 1 2/c 119.338; 9.106; 21.687
90; 118.47; 90
3357Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G
Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
The Journal of organic chemistry, 2015, 80, 11313-11321
4036404 CIFC6 H9 N O5 S2P 1 21/c 14.862; 11.891; 17.893
90; 93.661; 90
1032.4Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G
Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
The Journal of organic chemistry, 2015, 80, 11313-11321
4036405 CIFC12 H14 N2 O4 S2P -17.2854; 8.4243; 12.9967
100.849; 94.925; 113.418
707.36Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G
Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.
The Journal of organic chemistry, 2015, 80, 11313-11321
4036406 CIFC20 H15 Br F3 N O3C 1 2 122.1075; 7.7997; 22.3762
90; 92.119; 90
3855.7Zhao, Mei-Xin; Zhu, Hui-Kai; Dai, Tong-Lei; Shi, Min
Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Michael Addition of α-Aryl Isocyanoacetates to β-Trifluoromethylated Enones and Its Applications in the Synthesis of Chiral β-Trifluoromethylated Pyrrolines.
The Journal of organic chemistry, 2015, 80, 11330-11338
4036407 CIFC11 H12 I N O2P b c a15.334; 6.3606; 23.307
90; 90; 90
2273.2Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming
Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.
The Journal of organic chemistry, 2015, 80, 11339-11350
4036408 CIFC28 H39 N O2P 21 21 2110.6682; 18.2369; 24.0876
90; 90; 90
4686.4Sharpe, Robert J.; Johnson, Jeffrey S.
Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.
The Journal of organic chemistry, 2015, 80, 9740-9766
4036409 CIFC18 H30 O3P 21 21 216.2753; 14.5021; 36.3418
90; 90; 90
3307.29Sharpe, Robert J.; Johnson, Jeffrey S.
Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.
The Journal of organic chemistry, 2015, 80, 9740-9766
4036410 CIFC22 H36 O3P 21 21 218.1042; 11.0238; 21.4504
90; 90; 90
1916.36Sharpe, Robert J.; Johnson, Jeffrey S.
Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.
The Journal of organic chemistry, 2015, 80, 9740-9766
4036411 CIFC19 H28 O5C 1 2/c 139.6144; 6.5116; 13.7635
90; 95.754; 90
3532.4Sharpe, Robert J.; Johnson, Jeffrey S.
Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.
The Journal of organic chemistry, 2015, 80, 9740-9766
4036412 CIFC20 H17 Cl O3P 1 21/c 111.075; 10.596; 17.27
90; 122.43; 90
1710.6Guo, Hao; Xing, Fen; Du, Guang-Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin
N-Heterocyclic Carbene-Catalyzed Diastereoselective Vinylogous Michael Addition Reaction of γ-Substituted Deconjugated Butenolides.
The Journal of organic chemistry, 2015, 80, 12606-12613
4036413 CIFC18 H16 O2P 1 21/n 112.9443; 10.34; 21.8826
90; 96.624; 90
2909.3Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo
Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.
The Journal of organic chemistry, 2015, 80, 10226-10233
4036414 CIFC19 H19 N O4 SP b c a16.4246; 11.9941; 17.9328
90; 90; 90
3532.73Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo
Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.
The Journal of organic chemistry, 2015, 80, 10226-10233
4036416 CIFC22 H15 N OP 1 21/c 119.3149; 4.7459; 18.9269
90; 118.336; 90
1527.08Gai, Rafaela; Back, Davi F.; Zeni, Gilson
Potassium tert-Butoxide-Catalyzed Synthesis of Benzofuroazepines via Cyclization of (2-Alkynylbenzyl)oxy Nitriles.
The Journal of organic chemistry, 2015, 80, 10278-10287
4036417 CIFC87 H75 N5 O5 ZnP -110.0862; 16.0872; 23.252
74.012; 83.444; 84.65
3595.6Jinadasa, R. G. Waruna; Fang, Yuanyuan; Kumar, Siddhartha; Osinski, Allen J.; Jiang, Xiaoqin; Ziegler, Christopher J.; Kadish, Karl M.; Wang, Hong
β-Functionalized Push-Pull opp-Dibenzoporphyrins.
The Journal of organic chemistry, 2015, 80, 12076-12087

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