Crystallography Open Database

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7156676 CIFC25 H31 I N4 OP 1 21/c 111.677; 12.61; 16.02
90; 99.578; 90		2326Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E.
Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements.
Organic & biomolecular chemistry, 2019, 17, 3118-3128
7156677 CIFC17 H16 Cl N O4P 21 21 215.7177; 7.7029; 35.315
90; 90; 90		1555.4Sengoku, Tetsuya; Ikeda, Ikuhei; Ai, Keisuke; Takahashi, Masaki; Yoda, Hidemi
Indium- and zinc-catalyzed enantioselective amide propargylation of aldehydes with stannylated allenyl amides.
Organic & biomolecular chemistry, 2019, 17, 2614-2618
7156678 CIFC22 H17 N3 OP -18.624; 8.992; 13.312
92.425; 103.464; 118.016		872.3Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng
Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.
Organic & biomolecular chemistry, 2019, 17, 2356-2360
7156679 CIFC18 H17 Cl N2 O5P 1 21/n 19.7345; 14.0642; 13.0475
90; 91.839; 90		1785.39Yan, Xuebin; Shao, Pei; Song, Xixi; Zhang, Chaofei; Lu, Chang; Liu, Songtao; Li, Yanli
Chemoselective syntheses of spirodihydrofuryl and spirocyclopropyl barbiturates via cascade reactions of barbiturate-based olefins and acetylacetone.
Organic & biomolecular chemistry, 2019, 17, 2684-2690
7156680 CIFC30 H32 N2 O5P 1 21/c 110.4959; 20.229; 11.8444
90; 96.215; 90		2500Pesquet, Anthony; Marzag, Hamid; Knorr, Michael; Strohmann, Carsten; Lawson, Ata Martin; Ghinet, Alina; Dubois, Joëlle; Amaury, Farce; Daïch, Adam; Othman, Mohamed
Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.
Organic & biomolecular chemistry, 2019, 17, 2798-2808
7156681 CIFC19 H21 Br O3P 1 21 19.6654; 5.3717; 17.065
90; 95.42; 90		882Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156682 CIFC26 H26 O5P 21 21 218.2235; 15.8364; 17.2177
90; 90; 90		2242.3Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156683 CIFC19 H21 Cl O3P 1 21 19.3718; 5.8521; 16.3645
90; 106.047; 90		862.54Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156684 CIFC26 H26 O5P 21 21 219.3173; 10.8597; 22.3122
90; 90; 90		2257.6Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156685 CIFC24 H23 Br O3P 15.8561; 8.9674; 10.0618
94.232; 97.739; 98.721		515.12Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156686 CIFC19 H21 Cl O3P 21 21 218.8657; 10.5557; 18.97
90; 90; 90		1775.3Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156687 CIFC13 H12 N4 O2P -18.5827; 11.8639; 12.5606
74.85; 89.545; 88.331		1234Liu, Teng; Ji, Yi-Gang; Wu, Lei
tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.
Organic & biomolecular chemistry, 2019, 17, 2619-2623
7156688 CIFC20 H24 O8P 21 21 216.5026; 13.1145; 21.4093
90; 90; 90		1825.75Liu, Hong-Xin; Tan, Hai-Bo; Chen, Kai; Zhao, Li-Yun; Chen, Yu-Chan; Li, Sai-Ni; Li, Hao-Hua; Zhang, Wei-Min
Cytosporins A-D, novel benzophenone derivatives from the endophytic fungus Cytospora rhizophorae A761.
Organic & biomolecular chemistry, 2019, 17, 2346-2350
7156689 CIFC24 H26 N O6 SP 1 21/c 111.1279; 6.767; 29.5619
90; 97.073; 90		2209.14Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.
Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.
Organic & biomolecular chemistry, 2019, 17, 2705-2714
7156690 CIFC31.25 H29.5 Cl0.5 F6 N2 P S2I 41 c d39.9997; 39.9997; 7.8237
90; 90; 90		12517.7Joo, Wontae; Bielawski, Christopher W.
Design, synthesis and study of a photochromic α,ω-diene: toward new classes of photoswitchable polymers.
Organic & biomolecular chemistry, 2019, 17, 2486-2491
7156691 CIFC20 H22 N2 O6 SP -17.613; 15.188; 17.464
77.323; 84.333; 89.849		1960.1Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.
Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.
Organic & biomolecular chemistry, 2019, 17, 2753-2758
7156692 CIFC21 H24 N2 O6 SP -19.5182; 9.9604; 10.7803
89.926; 89.896; 89.878		1022Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.
Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.
Organic & biomolecular chemistry, 2019, 17, 2753-2758
7156693 CIFC24 H27 N O3 SP -18.9412; 11.6147; 11.727
92.06; 111.91; 102.119		1095.9Yan, Fachao; Liang, Hanbing; Ai, Bing; Liang, Wenjing; Jiao, Luyang; Yao, Shuzhi; Zhao, Pingping; Liu, Qing; Dong, Yunhui; Liu, Hui
Palladium-catalyzed intermolecular [4 + 2] formal cycloaddition with (Z)-3-iodo allylic nucleophiles and allenamides.
Organic & biomolecular chemistry, 2019, 17, 2651-2656
7156694 CIFC10.5 H10 N O3.5P 1 21 16.5334; 16.5353; 9.6045
90; 99.396; 90		1023.7Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong
Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.
Organic & biomolecular chemistry, 2019, 17, 2883-2886
7156695 CIFC19 H15 N3 O3P 1 21/c 17.021; 20.14; 21.54
90; 95.79; 90		3030Guduru, Ravinder; Mangina, N. S. V. M. Rao; Sridhar, Balasubramanian; Karunakar, Galla V.
Gold-catalyzed formation of aryl-fused pyrazolooxazepines via intramolecular regioselective 7-exo-dig cyclization.
Organic & biomolecular chemistry, 2019, 17, 2809-2817
7156696 CIFC27 H21 O2 PP 1 21/c 115.43; 8.5473; 20.666
90; 127.448; 90		2163.8Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei
Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.
Organic & biomolecular chemistry, 2019, 17, 2972-2984
7156697 CIFC20 H33 O3 PP 1 21/c 111.624; 16.463; 10.9887
90; 105.891; 90		2022.5Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei
Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.
Organic & biomolecular chemistry, 2019, 17, 2972-2984
7156698 CIFC22 H27 N O6P 1 21/n 116.8122; 5.9942; 21.1564
90; 103.421; 90		2073.83Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos
Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.
Organic & biomolecular chemistry, 2019, 17, 3167-3180
7156699 CIFC48 H84 O10 Si2P -16.873; 18.4289; 20.6056
85.901; 88.492; 84.225		2589.6Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos
Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.
Organic & biomolecular chemistry, 2019, 17, 3167-3180
7156700 CIFC24 H43 N O6 Si2P c a 2120.301; 8.1121; 34.9928
90; 90; 90		5762.7Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos
Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.
Organic & biomolecular chemistry, 2019, 17, 3167-3180
7156701 CIFC25 H22 Br F3 N2 O5 SP 112.4079; 12.825; 12.9266
97.287; 100.642; 93.026		1999.2Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin
The asymmetric construction of CF<sub>3</sub>-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.
Organic & biomolecular chemistry, 2019, 17, 2892-2895
7156702 CIFC28 H25 N2 O2P 1 21/c 19.1355; 13.633; 18.2466
90; 101.056; 90		2230.33Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
Organic & biomolecular chemistry, 2019, 17, 3232-3238
7156703 CIFC24 H28 N2 O2P 1 21/n 113.785; 9.6814; 17.39
90; 106.75; 90		2222.4Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
Organic & biomolecular chemistry, 2019, 17, 3232-3238
7156704 CIFC34 H28 N2 O2P -110.4057; 10.8124; 13.1072
103.696; 104.327; 102.121		1330.51Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
Organic & biomolecular chemistry, 2019, 17, 3232-3238
7156705 CIFC28 H24 N2 O2P -112.5063; 13.3807; 16.7023
68.356; 80.275; 62.538		2305.2Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
Organic & biomolecular chemistry, 2019, 17, 3232-3238
7156706 CIFC27 H19 N3 OP -19.8542; 10.4047; 11.6372
112.543; 94.288; 106.465		1033.89Guo, Tao; Fu, Xiang-Heng; Zhang, Miao; Li, Yu-Liu; Ma, Yong-Cheng
Catalyst-free direct cross-dehydrogenative coupling of imidazoheterocycles with glyoxal hydrates: an efficient approach to 1,2-diketones.
Organic & biomolecular chemistry, 2019, 17, 3150-3158
7156707 CIFC59 H47 B Cl2 F24 SeP 1 21/c 116.7865; 18.0322; 18.9289
90; 99.888; 90		5644.6Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156708 CIFC14 H14 Br2 SeP n m a7.9846; 15.1323; 12.2645
90; 90; 90		1481.86Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156709 CIFC23 H28 SeC 1 2/c 122.637; 8.9594; 18.7848
90; 95.8; 90		3790.3Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156710 CIFC59 H47 B F24 SeP 1 21/n 113.7859; 28.6706; 14.2244
90; 104.535; 90		5442.3Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156711 CIFC56 H49 B F24 SeP -112.6757; 13.1647; 16.7688
84.782; 73.312; 82.574		2653.63Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156712 CIFC59 H47 B Cl2 F24 SP 1 21/c 120.0832; 17.7513; 17.4707
90; 114.811; 90		5653.5Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
Organic & biomolecular chemistry, 2019, 17, 3181-3185
7156713 CIFC26 H22 Cl NP 21 21 2110.141; 10.4626; 19.267
90; 90; 90		2044.3Uruvakili, Anasuyamma; Kumara Swamy, K. C.
Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.
Organic & biomolecular chemistry, 2019, 17, 3275-3284
7156714 CIFC28 H24 N O2P 1 2/n 110.8507; 8.1358; 25.379
90; 93.054; 90		2237.3Uruvakili, Anasuyamma; Kumara Swamy, K. C.
Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.
Organic & biomolecular chemistry, 2019, 17, 3275-3284
7156715 CIFC32 H24 N2 O4P -110.3117; 10.8487; 13.8774
69.647; 87.597; 63.669		1292.8Uruvakili, Anasuyamma; Kumara Swamy, K. C.
Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.
Organic & biomolecular chemistry, 2019, 17, 3275-3284
7156716 CIFC33 H27 N O2P -18.2333; 9.5236; 16.9935
75.145; 76.297; 83.645		1249.51Uruvakili, Anasuyamma; Kumara Swamy, K. C.
Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.
Organic & biomolecular chemistry, 2019, 17, 3275-3284
7156717 CIFC26 H22 N2 O4 SeP 1 21 15.0331; 12.9922; 17.1983
90; 93.403; 90		1122.63Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming
One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.
Organic & biomolecular chemistry, 2019, 17, 3040-3047
7156718 CIFC26 H24 N2 O4 SP 1 21/c 114.9997; 8.0616; 20.034
90; 107.259; 90		2313.5Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming
One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.
Organic & biomolecular chemistry, 2019, 17, 3040-3047
7156719 CIFC15 H8 Br N S2P -16.8836; 7.0346; 13.579
88.344; 89.963; 79.153		645.52Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng
Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.
Organic & biomolecular chemistry, 2019, 17, 3424-3432
7156720 CIFC16 H8 F3 N S3P -14.2674; 12.9135; 13.473
77.893; 87.653; 86.789		724.48Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng
Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.
Organic & biomolecular chemistry, 2019, 17, 3424-3432
7156721 CIFC16 H19 N5 O2P 1 21/c 18.9287; 19.324; 9.833
90; 110.58; 90		1588.3Zakharova, Elena A.; Shmatova, Olga I.; Kutovaya, Irina V.; Khrustalev, Victor N.; Nenajdenko, Valentine G.
Synthesis of macrocyclic peptidomimetics via the Ugi-click-strategy.
Organic & biomolecular chemistry, 2019, 17, 3433-3445
7156722 CIFC45 H37 Cl2 N5 O3P -19.7321; 12.1142; 16.7703
85.618; 85.655; 70.199		1852.2Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik
Rapid one-pot synthesis of pyrrole-appended isocorroles.
Organic & biomolecular chemistry, 2019, 17, 3159-3166
7156723 CIFC45 H34 Cl3 Cu N5 O3P -111.1767; 11.631; 15.297
104.788; 91.215; 96.469		1907.9Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik
Rapid one-pot synthesis of pyrrole-appended isocorroles.
Organic & biomolecular chemistry, 2019, 17, 3159-3166
7156724 CIFC40 H30 N2 O6 S2P -18.4665; 9.9099; 20.0858
94.466; 93.734; 95.165		1668.9Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak
Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.
Organic & biomolecular chemistry, 2019, 17, 3451-3461
7156725 CIFC18 H15 N O3 SP 1 21/n 113.1858; 8.0088; 15.5088
90; 107.498; 90		1561.98Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak
Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.
Organic & biomolecular chemistry, 2019, 17, 3451-3461

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