Crystallography Open Database

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7158089 CIFC11 H7 I N2P n a 2113.3693; 4.2733; 16.9207
90; 90; 90
966.7Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping
Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.
Organic & biomolecular chemistry, 2021, 19, 5191-5196
7158090 CIFC20 H17 Cl N4 O2P 1 21/c 114.3648; 14.4679; 8.6646
90; 101.1; 90
1767.1Zhuge, Juanping; Jiang, Ziyang; Jiang, Wei; Histand, Gary; Lin, Dongen
Iodine-catalyzed oxidative functionalization of purines with (thio)ethers or methylarenes for the synthesis of purin-8-one analogues.
Organic & biomolecular chemistry, 2021, 19, 5121-5126
7158091 CIFC116 H125 N13 O14P -116.27079; 24.574; 28.66463
112.948; 98.3767; 100.387
10081.8Pang, Zhi; Qi, Ting; Li, Baolin
Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.
Organic & biomolecular chemistry, 2021, 19, 5555-5562
7158092 CIFC171.26 H177.04 N24 O31.26P -116.701; 20.4228; 24.065
89.126; 76.396; 87.174
7968.08Pang, Zhi; Qi, Ting; Li, Baolin
Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.
Organic & biomolecular chemistry, 2021, 19, 5555-5562
7158093 CIFC104.58 H103.32 N13 O14.58P 1 21/n 110.3686; 31.9891; 31.1143
90; 95.405; 90
10274.2Pang, Zhi; Qi, Ting; Li, Baolin
Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.
Organic & biomolecular chemistry, 2021, 19, 5555-5562
7158094 CIFC33 H28 Br N3 O2 SC 1 2/c 131.598; 11.6057; 21.0251
90; 129.356; 90
5961.7Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish
Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.
Organic & biomolecular chemistry, 2021, 19, 5155-5160
7158095 CIFC21 H24 N3 PP -19.4903; 9.865; 11.331
80.779; 71.403; 68.288
933Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Organic & biomolecular chemistry, 2021, 19, 5544-5550
7158096 CIFC12 H18 B12 I12 N6 ZnR -3 m :H11.8876; 11.8876; 27.431
90; 90; 120
3357.1Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Organic & biomolecular chemistry, 2021, 19, 5544-5550
7158097 CIFC21 H24 Cl2 N3 P ZnP 1 21/c 17.9597; 20.1364; 13.5168
90; 96.857; 90
2151Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Organic & biomolecular chemistry, 2021, 19, 5544-5550
7158098 CIFC42 H48 B12 I12 N6 P2 ZnP 1 21/c 122.1697; 14.6015; 23.0686
90; 105.685; 90
7189.5Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Organic & biomolecular chemistry, 2021, 19, 5544-5550
7158099 CIFC19 H18 Br N O2P 1 21/c 112.1783; 7.56305; 17.6627
90; 90.5451; 90
1626.75Zhao, Lan; Qiu, Changfu; Zhao, Lixin; Yin, Guangwei; Li, Fangyi; Wang, Chunhua; Li, Zheng
Base-promoted, CBr<sub>4</sub>-mediated tandem bromination/intramolecular Friedel-Crafts alkylation of N-aryl enamines: a facile access to 1H- and 3H-indoles.
Organic & biomolecular chemistry, 2021, 19, 5377-5382
7158100 CIFC12 H12.5 N O4P 1 21/n 112.5895; 5.0682; 18.033
90; 92.174; 90
1149.8Chen, Rongxiang; Jia, Ruo-Ling; Li, Wenbo; Zhao, Wei; Wang, Kai-Kai; Wang, Zhan-Yong; Ma, Xueji; Dai, Wei; Sun, Aili
A copper iodide-catalyzed coupling reaction of benzofuran-3(2H)-ones with amines: an approach to α-ketoamides.
Organic & biomolecular chemistry, 2021, 19, 5294-5297
7158102 CIFC17 H12 Cl2 N2 O2P 1 21/c 17.707; 17.6134; 22.5179
90; 93.088; 90
3052.29Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng
Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.
Organic & biomolecular chemistry, 2021, 19, 5567-5571
7158103 CIFC18 H16 N2 O2P 1 21/c 14.6921; 21.3139; 14.5759
90; 97.032; 90
1446.73Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng
Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.
Organic & biomolecular chemistry, 2021, 19, 5567-5571
7158104 CIFC42 H41 B F9 N3P -19.7145; 11.9901; 17.9234
103.282; 95.226; 109.005
1889.6Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Formation of amidino-borate derivatives by a multi-component reaction.
Organic & biomolecular chemistry, 2021, 19, 5551-5554
7158105 CIFC41 H39 B F9 N3P 21 21 2120.6283; 8.916; 19.7224
90; 90; 90
3627.38Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Formation of amidino-borate derivatives by a multi-component reaction.
Organic & biomolecular chemistry, 2021, 19, 5551-5554
7158106 CIFC56 H56 B F9 N3 PP 1 21/c 113.5769; 17.0284; 23.6162
90; 104.969; 90
5274.62Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Formation of amidino-borate derivatives by a multi-component reaction.
Organic & biomolecular chemistry, 2021, 19, 5551-5554
7158107 CIFC56 H56 B F9 N3 PP 1 21/c 113.3489; 16.9297; 23.6112
90; 101.316; 90
5232.2Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Formation of amidino-borate derivatives by a multi-component reaction.
Organic & biomolecular chemistry, 2021, 19, 5551-5554
7158108 CIFC32 H26 Br N O4.5I 1 2 17.179; 15.131; 26.209
90; 92.737; 90
2843.7Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang
Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.
Organic & biomolecular chemistry, 2021, 19, 5836-5843
7158109 CIFC28 H24 Br N O5P 21 21 217.217; 15.068; 23.762
90; 90; 90
2584Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang
Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.
Organic & biomolecular chemistry, 2021, 19, 5836-5843
7158110 CIFC22 H14 N2 OP 1 21/n 19.5943; 13.0289; 13.5767
90; 98.466; 90
1678.6Kim, Sunmi; Lee, Jeong Hwa; Yoon, Seok Hyun; Kim, Ikyon
A regioselective [4 + 2] annulation approach to 5-acylindolizine-7-carbonitriles: generation of poly-substituted pyridines.
Organic & biomolecular chemistry, 2021, 19, 5806-5817
7158111 CIFC13 H13 F3 N2 O3 SP b c a8.607; 14.6316; 22.5134
90; 90; 90
2835.2Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah
<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.
Organic & biomolecular chemistry, 2021, 19, 5534-5538
7158112 CIFC10 H16 F5 N O4 SA e a 213.4208; 26.557; 8.6349
90; 90; 90
3077.6DudziƄski, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter
Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.
Organic & biomolecular chemistry, 2021, 19, 5607-5623
7158113 CIFC19 H24 N2 O4P -19.9866; 10.417; 10.4938
101.921; 111.131; 105.454
924.18Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang
A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.
Organic & biomolecular chemistry, 2021, 19, 5794-5799
7158114 CIFC17 H20 N2 O4P 1 21/n 18.7888; 19.6193; 10.0883
90; 109.798; 90
1636.71Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang
A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.
Organic & biomolecular chemistry, 2021, 19, 5794-5799
7158115 CIFC18 H22 N2 O4P 1 21/n 19.0953; 19.6563; 10.0974
90; 109.55; 90
1701.14Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang
A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.
Organic & biomolecular chemistry, 2021, 19, 5794-5799
7158116 CIFC68 H36 F4 O8 S8P 1 21/n 114.147; 5.4814; 18.975
90; 109.36; 90
1388.2Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb
Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.
Organic & biomolecular chemistry, 2021, 19, 5818-5826
7158117 CIFC16 H21 N O4 SP 1 21 19.4481; 10.3898; 17.997
90; 96.944; 90
1753.7Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping
Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.
Organic & biomolecular chemistry, 2021, 19, 5876-5887
7158118 CIFC15 H19 N O4 SP 21 21 218.6665; 9.0914; 20.0289
90; 90; 90
1578.09Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping
Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.
Organic & biomolecular chemistry, 2021, 19, 5876-5887
7158119 CIFC8 H10 N2 O2P 1 21/c 15.9064; 18.7809; 7.4306
90; 97.589; 90
817.04Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7158120 CIFC9 H9 F3 N2 O2P -14.8119; 10.5336; 10.7314
114.87; 94.157; 90.003
491.92Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7158121 CIFC13 H14 N2 O3P 1 21/n 111.9095; 7.9623; 25.3411
90; 95.957; 90
2390.04Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7158122 CIFC13 H18 N2 O2P 1 21/n 18.3092; 12.0788; 11.8379
90; 92.429; 90
1187.05Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7158123 CIFC13 H14 N2 O3P -17.9429; 12.4375; 12.8747
87.653; 74.488; 87.068
1223.46Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7158124 CIFC16 H12 F N O2 SP -16.4301; 7.7504; 14.974
95.348; 100.866; 105.796
696.89Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin
A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.
Organic & biomolecular chemistry, 2021, 19, 6021-6024
7158125 CIFC10 H8 F N O2 SP 1 21/c 17.752; 23.836; 5.6189
90; 97.925; 90
1028.33Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin
A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.
Organic & biomolecular chemistry, 2021, 19, 6021-6024
7158126 CIFC13 H12 F N O4P 21 21 217.71; 9.8223; 16.1672
90; 90; 90
1224.34Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.
Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.
Organic & biomolecular chemistry, 2021, 19, 6085-6091
7158130 CIFC17 H17 Cl2 N OP 3 1 c17.8125; 17.8125; 8.4655
90; 90; 120
2326.1Wang, Fang; Liu, Xiaoli; Wang, Lei
Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.
Organic & biomolecular chemistry, 2021, 19, 6141-6146
7158131 CIFC18 H14 N2 O2P -17.2558; 9.8044; 10.5031
99.055; 105.174; 103.419
682.24Shelar, Santosh V.; Argade, Narshinha P.
Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.
Organic & biomolecular chemistry, 2021, 19, 6160-6169
7158132 CIFC14 H14 N2 O2P c a 2124.406; 5.0265; 9.4136
90; 90; 90
1154.83Shelar, Santosh V.; Argade, Narshinha P.
Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.
Organic & biomolecular chemistry, 2021, 19, 6160-6169
7158133 CIFC24 H35 Cl N8 O10P 21 21 216.7387; 9.5889; 44.6727
90; 90; 90
2886.6Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.
Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.
Organic & biomolecular chemistry, 2021, 19, 6147-6159
7158134 CIFC12 H14 O4P 1 21/c 115.6505; 4.3519; 17.2668
90; 115.015; 90
1065.72Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Organic & biomolecular chemistry, 2021, 19, 6030-6037
7158135 CIFC11.92 H13.91 O4P 1 21/c 15.1015; 21.7906; 10.1611
90; 102.619; 90
1102.27Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Organic & biomolecular chemistry, 2021, 19, 6030-6037
7158136 CIFC52 H76 O26P -110.3819; 12.0675; 12.3012
70.999; 84.623; 83.524
1445.2Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Organic & biomolecular chemistry, 2021, 19, 6030-6037
7158137 CIFC13 H14 O4P 1 21/c 112.1797; 5.2729; 17.2041
90; 99.215; 90
1090.63Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Organic & biomolecular chemistry, 2021, 19, 6030-6037
7158138 CIFC26 H38 O13C 1 2/c 123.3741; 13.2115; 17.727
90; 100.781; 90
5377.6Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Organic & biomolecular chemistry, 2021, 19, 6030-6037
7158139 CIFC34 H33 N3 O5P -110.0138; 11.7765; 12.7363
84.6324; 78.133; 84.1528
1458.14Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
Organic & biomolecular chemistry, 2021, 19, 6322-6327
7158140 CIFC34 H33 N3 O5P 1 21/c 117.6658; 12.454; 26.766
90; 95.226; 90
5864.3Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
Organic & biomolecular chemistry, 2021, 19, 6322-6327
7158141 CIFC34 H31 N3 O8P -110.8318; 11.4013; 15.4837
105.432; 103.175; 103.079
1708.8Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
Organic & biomolecular chemistry, 2021, 19, 6322-6327
7158142 CIFC34 H27 Cl2 N O4P -110.7954; 11.0062; 13.5566
68.256; 87.382; 86.599
1493Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
Organic & biomolecular chemistry, 2021, 19, 6322-6327

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