Crystallography Open Database

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7156139 CIFC27 H34 O3 SiP 21 21 218.2816; 11.7445; 25.888
90; 90; 90
2518Halder, Joydev; Das, Debabrata; Nanda, Samik
A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.
Organic & biomolecular chemistry, 2018, 16, 2549-2575
7156140 CIFC20 H29 Cl OP 1 21 18.5588; 6.9137; 15.0132
90; 99.591; 90
875.96Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter
Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.
Organic & biomolecular chemistry, 2018, 16, 2508-2521
7156141 CIFC19 H29 Cl O2P 21 21 217.5312; 20.9084; 21.2244
90; 90; 90
3342.1Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter
Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.
Organic & biomolecular chemistry, 2018, 16, 2508-2521
7156142 CIFC26 H45 Cl O2 SiC 1 2 113.2696; 7.0208; 28.171
90; 97.17; 90
2604Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter
Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.
Organic & biomolecular chemistry, 2018, 16, 2508-2521
7156143 CIFC19 H29 Cl O2P 1 21 17.1254; 11.6665; 10.8645
90; 103.497; 90
878.21Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter
Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.
Organic & biomolecular chemistry, 2018, 16, 2508-2521
7156144 CIFC19 H27 Cl O2P 21 21 217.4333; 13.538; 16.411
90; 90; 90
1651.5Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter
Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.
Organic & biomolecular chemistry, 2018, 16, 2508-2521
7156145 CIFC33 H25 O2 PP 21 21 2111.149; 11.921; 18.456
90; 90; 90
2452.9Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo
Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.
Organic & biomolecular chemistry, 2018, 16, 2356-2361
7156146 CIFC20 H18 N2 OP 1 21/c 111.586; 15.822; 8.7845
90; 97.997; 90
1594.7Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde
Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.
Organic & biomolecular chemistry, 2018, 16, 2456-2463
7156147 CIFC15 H15 N O3P 1 21/c 112.836; 8.234; 13.79
90; 117.679; 90
1290.7Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde
Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.
Organic & biomolecular chemistry, 2018, 16, 2456-2463
7156148 CIFC17 H14 N2 O SP b c a31.267; 8.132; 22.702
90; 90; 90
5772Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde
Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.
Organic & biomolecular chemistry, 2018, 16, 2456-2463
7156149 CIFC27 H26 O5P 1 21/c 111.9068; 10.5151; 18.2449
90; 108.882; 90
2161.36Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156150 CIFC14 H15 Br O6P 1 21/n 18.0373; 17.6384; 10.4852
90; 97.079; 90
1475.1Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156151 CIFC13 H13 Br O5P -18.4387; 8.5555; 9.4816
97.917; 100.06; 92.556
665.94Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156152 CIFC15 H17 Cl O6P 1 21/c 18.835; 6.916; 24.341
90; 90.48; 90
1487.3Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156153 CIFC13 H13 Cl O5P 1 21/c 19.594; 8.102; 17.944
90; 104.5; 90
1350.4Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156154 CIFC16 H19 Br O7P 1 21/c 19.6172; 18.6822; 10.3451
90; 109.39; 90
1753.28Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Organic & biomolecular chemistry, 2018, 16, 3897-3909
7156155 CIFC21 H15 N3 O6 SP 1 21 18.2614; 11.369; 10.8661
90; 106.297; 90
979.58K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy
Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.
Organic & biomolecular chemistry, 2018, 16, 2522-2526
7156156 CIFC15 H24 N4 O6 SP -16.5612; 9.2289; 15.5715
95.807; 94.598; 98.71
922.86Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka
C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.
Organic & biomolecular chemistry, 2018, 16, 2678-2687
7156157 CIFC27 H40 O5P 1 21/c 110.94; 23.899; 10.129
90; 96.474; 90
2631.4Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang
Metal-free α-alkylation of alcohols with para-quinone methides.
Organic & biomolecular chemistry, 2018, 16, 2762-2767
7156158 CIFC16 H10 F2 O3P -17.0746; 8.499; 10.459
92.779; 104.832; 93.958
605Wang, Rui; Han, Jie; Li, Chenchen; Zhang, Jie; Liang, Yong; Wang, Tao; Zhang, Zunting
One-pot synthesis of 3-fluoroflavones via 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones and selectfluor at room temperature.
Organic & biomolecular chemistry, 2018, 16, 2479-2488
7156159 CIFC24 H24 OP -116.3273; 16.8364; 17.1138
89.826; 66.421; 65.168
3835.3Virumbrales, Cintia; Suárez-Pantiga, Samuel; Solas, Marta; Fernández-Rodríguez, Manuel A; Sanz, Roberto
Gold(i)-catalyzed diastereoselective synthesis of 1-α-oxybenzyl-1H-indenes.
Organic & biomolecular chemistry, 2018, 16, 2623-2628
7156160 CIFC16 H26 N2 O7P 21 21 218.5004; 12.8701; 16.4218
90; 90; 90
1796.56Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.
Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.
Organic & biomolecular chemistry, 2018, 16, 2705-2710
7156161 CIFC15 H23 I N2 O6P 21 21 218.5534; 13.2093; 16.1337
90; 90; 90
1822.86Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.
Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.
Organic & biomolecular chemistry, 2018, 16, 2705-2710
7156162 CIFC24 H18 N4 O2P -18.7409; 9.6037; 12.1665
72.299; 87.366; 72.955
929.18Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra
A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.
Organic & biomolecular chemistry, 2018, 16, 2527-2540
7156163 CIFC23 H16 N4 O2P -18.3973; 8.5161; 14.1035
97.848; 104.222; 108.609
900.83Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra
A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.
Organic & biomolecular chemistry, 2018, 16, 2527-2540
7156164 CIFC20 H17 Br O5P 21 21 216.3579; 12.657; 22.518
90; 90; 90
1812.1Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo
Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.
Organic & biomolecular chemistry, 2018, 16, 2688-2696
7156165 CIFC21 H20 O7P 21 21 215.8248; 11.9048; 26.568
90; 90; 90
1842.3Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo
Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.
Organic & biomolecular chemistry, 2018, 16, 2688-2696
7156166 CIFC16 H14 B2 F8 O2 S8P 1 21/n 110.7366; 11.0614; 21.0424
90; 101.46; 90
2449.2Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.
An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.
Organic & biomolecular chemistry, 2018, 16, 2741-2747
7156167 CIFC16 H14 O2 S8P 1 21/c 131.739; 4.5314; 14.5044
90; 101.228; 90
2046.1Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.
An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.
Organic & biomolecular chemistry, 2018, 16, 2741-2747
7156168 CIFC33 H33 Br O4 S SeP 1 21 17.9327; 18.8397; 22.3499
90; 100.199; 90
3287.4Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong
Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.
Organic & biomolecular chemistry, 2018, 16, 2893-2901
7156169 CIFC30 H30 N2 O4P -19.795; 10.469; 12.397
87.898; 81.097; 82.861
1246Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.
Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.
Organic & biomolecular chemistry, 2018, 16, 2910-2922
7156170 CIFC60 H60 N4 O8P -113.1542; 13.3153; 15.723
103.217; 113.154; 93.739
2427.7Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.
Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.
Organic & biomolecular chemistry, 2018, 16, 2910-2922
7156171 CIFC26 H26 N2 O4P -17.581; 10.819; 13.144
89.938; 87.155; 82.887
1068.4Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.
Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.
Organic & biomolecular chemistry, 2018, 16, 2910-2922
7156172 CIFC14 H16 Cl N3 O6 SP -17.8621; 10.129; 12.5926
70.829; 76.104; 67.503
867.55Zhou, Minghui; Su, Qin; Addepalli, Yesu; He, Yun; Wang, Zhen
An asymmetric Mannich reaction of α-diazocarbonyl compounds and N-sulfonyl cyclic ketimines catalyzed by complexes generated from chiral and achiral phosphines with gold(i).
Organic & biomolecular chemistry, 2018, 16, 2923-2931
7156173 CIFC21 H20 N2 O5P 1 21/n 18.809; 12.652; 16.37
90; 91.413; 90
1824Mondal, Susmita; Hajra, Alakananda
Ruthenium(ii)-catalyzed remote C-H addition of 8 aminoquinoline amide to activated aldehyde.
Organic & biomolecular chemistry, 2018, 16, 2846-2850
7156174 CIFC26 H25.12 O5 SI 1 2/a 120.187; 12.8111; 19.386
90; 110.362; 90
4700.3Ma, Shanshan; Yu, Aimin; Meng, Xiangtai
Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.
Organic & biomolecular chemistry, 2018, 16, 2885-2892
7156175 CIFC24 H21 Cl O7 SP -110.8783; 11.1724; 11.9506
103.441; 110.162; 103.53
1245.2Ma, Shanshan; Yu, Aimin; Meng, Xiangtai
Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.
Organic & biomolecular chemistry, 2018, 16, 2885-2892
7156176 CIFC14 H14 N4 OP 1 21/c 17.753; 14.532; 11.144
90; 98.574; 90
1241.5Tong, Feng; Linares-Mendez, Iamnica J; Han, Yi-Fei; Wisner, James A.; Wang, Hong-Bo
Readily functionalized AAA-DDD triply hydrogen-bonded motifs.
Organic & biomolecular chemistry, 2018, 16, 2947-2954
7156177 CIFC28 H22 N O4 PP 1 21/c 112.3199; 22.2918; 9.1023
90; 108.63; 90
2368.8Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie
Direct C4-H phosphonation of 8-hydroxyquinoline derivatives employing photoredox catalysis and silver catalysis.
Organic & biomolecular chemistry, 2018, 16, 2753-2756
7156178 CIFC25 H27 F3 N4 O6P -19.0578; 9.3785; 15.7048
103.167; 101.337; 91.84
1269.54Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.
Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.
Organic & biomolecular chemistry, 2018, 16, 2966-2974
7156179 CIFC21 H24 N4 O4P 1 21/n 19.7486; 10.5135; 19.312
90; 100.75; 90
1944.6Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.
Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.
Organic & biomolecular chemistry, 2018, 16, 2966-2974
7156180 CIFC32 H22 Br Cl4 N O2 S2P 1 21/c 19.9316; 9.6118; 33.373
90; 97.634; 90
3157.6Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei
Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.
Organic & biomolecular chemistry, 2018, 16, 3006-3011
7156181 CIFC15 H14 N2 OP 1 21/c 110.5352; 5.659; 20.7179
90; 95.495; 90
1229.5Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156182 CIFC11 H12 I2 N2P -110.1088; 10.1122; 15.6369
106.118; 90.862; 117.901
1337.2Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156183 CIFC10 H9 I N2P 21 21 218.7463; 9.1092; 13.1444
90; 90; 90
1047.24Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156184 CIFC11 H12 N2 O3P 1 21/c 14.6419; 24.9757; 9.3367
90; 97.371; 90
1073.5Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156185 CIFC10 H13 Br N2 OP 1 21/n 18.9971; 8.2161; 14.939
90; 92.864; 90
1102.93Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156186 CIFC21 H14 Cl N3 OP 1 21/n 15.07; 20.668; 16
90; 93.39; 90
1674Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Organic & biomolecular chemistry, 2018, 16, 4243-4260
7156187 CIFC14 H18 N2 O5 SP 1 21/c 110.0967; 11.1751; 13.81
90; 104.85; 90
1506.16Fegheh-Hassanpour, Younes; Ebrahim, Faisal; Arif, Tanzeel; Sintim, Herman O.; Claridge, Timothy D. W.; Amin, Nader T.; Hodgson, David M.
On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds.
Organic & biomolecular chemistry, 2018, 16, 2876-2884
7156188 CIFC14 H16 F5 N O2 SP 1 21/c 113.9735; 11.3828; 10.4133
90; 109.645; 90
1559.91Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.
The control of stereochemistry by the pentafluorosulfanyl group.
Organic & biomolecular chemistry, 2018, 16, 3151-3159

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