Crystallography Open Database

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7156826 CIFC72 H57 B F24 Ir N2 PP 41 21 218.457; 18.457; 41.453
90; 90; 90
14121Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua
Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.
Organic & biomolecular chemistry, 2019, 17, 5099-5105
7156827 CIFC19 H17 B F2 N2 OC 1 2/c 123.533; 10.2022; 16.6772
90; 120.507; 90
3449.7Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Organic & biomolecular chemistry, 2019, 17, 5121-5128
7156828 CIFC16 H11 B F2 N2 OP -110.4898; 13.5801; 20.312
101.032; 98.314; 96.277
2782.1Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Organic & biomolecular chemistry, 2019, 17, 5121-5128
7156829 CIFC32 H25 B F2 N2 O2P 1 21/n 110.5781; 24.622; 10.7523
90; 103.295; 90
2725.4Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Organic & biomolecular chemistry, 2019, 17, 5121-5128
7156830 CIFC1.69 H1.38 B0.12 F0.25 N0.25P 1 21/c 112.522; 15.93; 13.262
90; 114.631; 90
2404.7Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Organic & biomolecular chemistry, 2019, 17, 5121-5128
7156831 CIFC19 H19 N O3 SP -18.5801; 10.7434; 19.1136
90.562; 95.92; 97.534
1736.9Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg
Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.
Organic & biomolecular chemistry, 2019, 17, 5538-5544
7156832 CIFC15 H21 N O3 SP 1 21/c 110.1301; 6.6395; 23.1337
90; 91.894; 90
1555.09Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg
Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.
Organic & biomolecular chemistry, 2019, 17, 5538-5544
7156833 CIFC96 H104 N8 O24P 1 21/c 111.164; 12.003; 17.508
90; 99.033; 90
2317Sun, Fang; Yin, Tingrui; Feng, Anni; Hu, Yong; Yu, Chenxia; Li, Tuanjie; Yao, Changsheng
Base-promoted regiodivergent allylation of N-acylhydrazones with Morita-Baylis-Hillman carbonates by tuning the catalyst.
Organic & biomolecular chemistry, 2019, 17, 5283-5293
7156834 CIFC15 H15 N O6P -16.9301; 12.5301; 17.0571
85.888; 88.194; 79.004
1449.97Zhao, Jian-Qiang; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng
Phosphine-catalyzed dearomative (3 + 2) annulation of 2-nitrobenzofurans and nitrobenzothiophenes with allenoates.
Organic & biomolecular chemistry, 2019, 17, 5294-5304
7156835 CIFC10 H10 F3 N O2P 1 21 16.6617; 6.6834; 22.736
90; 95.148; 90
1008.19Otevrel, Jan; Svestka, David; Bobal, Pavel
Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.
Organic & biomolecular chemistry, 2019, 17, 5244-5248
7156836 CIFC36 H41 N O4P 1 21 115.676; 5.9027; 16.875
90; 104.625; 90
1510.9Jiang, Chunfeng; Liu, Quan; Liu, Jiaming; Liu, Kaixuan; Tian, Liangliang; Duan, Mingfei; Wang, Ying; Shen, Zhufang; Xu, Youjun
Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.
Organic & biomolecular chemistry, 2019, 17, 5381-5391
7156837 CIFC33 H23 Br F3 N4 O2P 1 21 19.9148; 10.2958; 14.4151
90; 109.169; 90
1389.92Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin
The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.
Organic & biomolecular chemistry, 2019, 17, 5514-5519
7156838 CIFC33 H23 Br F3 N4 O2P 1 21 110.1503; 7.5835; 17.626
90; 93.768; 90
1353.82Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin
The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.
Organic & biomolecular chemistry, 2019, 17, 5514-5519
7156839 CIFC33 H23 Cl F3 N4 O2P -110.1089; 12.9197; 14.1096
105.902; 108.629; 106.656
1531.34Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin
The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.
Organic & biomolecular chemistry, 2019, 17, 5514-5519
7156840 CIFC22 H19 I2 O PP n a 2119.549; 9.8719; 10.8488
90; 90; 90
2093.7Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156841 CIFC22 H19 I N3 O2 PP 21 21 218.3026; 8.563; 30.125
90; 90; 90
2141.74Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156842 CIFC22 H19 I N3 O PP 1 21/c 18.209; 16.624; 15.715
90; 92.215; 90
2143Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156843 CIFC21 H17 I N3 O PP 1 21/c 19.1543; 10.061; 22.0753
90; 91.464; 90
2032.5Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156844 CIFC30 H25 I N3 O PP -18.9643; 11.6596; 14.2643
69.832; 71.872; 79.193
1324.64Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156845 CIFC21 H16 Cl F I O PP 1 21/c 18.2639; 8.504; 29.114
90; 96.974; 90
2030.9Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156846 CIFC22 H19 F I O2 PP 1 n 18.2948; 26.144; 14.533
90; 94.408; 90
3142.3Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156847 CIFC14 H17 F I O3 PP 1 21/c 116.7231; 7.852; 12.4005
90; 103.7; 90
1582Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156848 CIFC15 H17 I2 O3 PP 1 21/n 19.115; 10.399; 19.1186
90; 92.325; 90
1810.7Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156849 CIFC21 H16 Cl I N3 O PP 21 21 2129.548; 8.3033; 8.5609
90; 90; 90
2100.4Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156850 CIFC22 H19 F I O PP 1 21 19.6921; 9.8549; 11.1815
90; 107.996; 90
1015.7Anitha, Mandala; Kumara Swamy, K. C.
Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Organic & biomolecular chemistry, 2019, 17, 5736-5748
7156851 CIFC23 H19 N3P b c a8.0352; 12.627; 33.738
90; 90; 90
3423.1Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
Organic & biomolecular chemistry, 2019, 17, 5505-5508
7156852 CIFC30.5 H26 Cl N3 OP -19.6209; 10.4364; 14.6138
87.2358; 82.3312; 64.4367
1311.79Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
Organic & biomolecular chemistry, 2019, 17, 5505-5508
7156853 CIFC17 H12 Br N3 OC 1 2/c 121.9776; 8.2312; 15.9421
90; 94.9609; 90
2873.2Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
Organic & biomolecular chemistry, 2019, 17, 5505-5508
7156854 CIFC28 H23 N3 O2P -19.4665; 10.3663; 12.9597
101.761; 90.841; 113.945
1131.2Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
Organic & biomolecular chemistry, 2019, 17, 5505-5508
7156855 CIFC24 H21 N O2 SP -18.1; 9.6228; 14.778
98.898; 99.647; 113.901
1006Sunil, Komalla; Thummala, Yadagiri; Dalovai, Purnachandar; Balasubramanian, Sridhar; Karunakar, Galla V.
A gold-catalyzed facile intramolecular rearrangement and cyclization sequence for synthesis of 2,5-dihydrofurans.
Organic & biomolecular chemistry, 2019, 17, 6015-6024
7156856 CIFC30 H24 B NP b c a10.6779; 10.889; 36.8908
90; 90; 90
4289.35Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro
Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.
Organic & biomolecular chemistry, 2019, 17, 5500-5504
7156857 CIFC31 H27 B Cl3 NC 1 c 126.0787; 18.5482; 11.033
90; 103.001; 90
5200Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro
Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.
Organic & biomolecular chemistry, 2019, 17, 5500-5504
7156858 CIFC74.18 H83.2 N28 Na3.31 O37.45 S4P -114.8017; 18.2064; 20.8364
92.0893; 104.083; 111.301
5025.6Xue, Weijian; Zavalij, Peter Y.; Isaacs, Lyle
Triazole functionalized acyclic cucurbit[n]uril-type receptors: host·guest recognition properties.
Organic & biomolecular chemistry, 2019, 17, 5561-5569
7156859 CIFC64 H82 Cu2 N4 O4 S2P 1 21/n 122.6003; 12.4998; 22.7021
90; 104.127; 90
6219.37Jang, Won Jun; Kang, Byung-Nam; Lee, Ji Hun; Choi, Yoon Mi; Kim, Chong-Hyeak; Yun, Jaesook
NHC-copper-thiophene-2-carboxylate complex for the hydroboration of terminal alkynes.
Organic & biomolecular chemistry, 2019, 17, 5249-5252
7156860 CIFC24 H15 Br N2 O2 SP -18.8036; 10.75; 11.597
74.87; 89.66; 71.84
1003.3Song, Yong-Xing; Du, Da-Ming
Asymmetric synthesis of spirooxindole-fused spirothiazolones via squaramide-catalysed reaction of 3-chlorooxindoles with 5-alkenyl thiazolones.
Organic & biomolecular chemistry, 2019, 17, 5375-5380
7156861 CIFC23 H24 Cl F N2 O3 SP 21 21 216.8998; 11.7197; 26.4465
90; 90; 90
2138.56Panduwawala, Tharindi D.; Iqbal, Sarosh; Thompson, Amber L.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Liu, Shuang; Ebright, Richard H.; Howells, Alison; Maxwell, Anthony; Moloney, Mark G.
Functionalised bicyclic tetramates derived from cysteine as antibacterial agents.
Organic & biomolecular chemistry, 2019, 17, 5615-5632
7156862 CIFC21 H22 O4 SP 21 21 217.5793; 15.2528; 15.4509
90; 90; 90
1786.21Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar
TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.
Organic & biomolecular chemistry, 2019, 17, 5749-5759
7156863 CIFC15 H14 O2C 1 2/c 118.466; 9.1472; 13.5472
90; 90.909; 90
2288Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar
TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.
Organic & biomolecular chemistry, 2019, 17, 5749-5759
7156864 CIFC16 H15 N O2P -17.3474; 13.1574; 14.7373
65.265; 78.643; 79.941
1261.82Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar
TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.
Organic & biomolecular chemistry, 2019, 17, 5749-5759
7156865 CIFC27 H22 N4 O3 SP 1 21/n 111.638; 14.774; 14.105
90; 101.385; 90
2377.5Jana, Asim; Bhaumick, Prabhas; Panday, Anoop Kumar; Mishra, Richa; Choudhury, Lokman H.
I<sub>2</sub>/DMSO mediated multicomponent reaction for the synthesis of 2-arylbenzo[d]imidazo[2,1-b] thiazole derivatives.
Organic & biomolecular chemistry, 2019, 17, 5316-5330
7156866 CIFC9 H14 F2 O4P 1 21 110.9535; 7.9162; 11.9942
90; 98.836; 90
1027.68Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno
Synthesis of vicinal dideoxy-difluorinated galactoses.
Organic & biomolecular chemistry, 2019, 17, 5331-5340
7156867 CIFC6 H8 F2 O3P 21 21 215.6134; 10.6394; 21.7983
90; 90; 90
1301.86Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno
Synthesis of vicinal dideoxy-difluorinated galactoses.
Organic & biomolecular chemistry, 2019, 17, 5331-5340
7156868 CIFC6 H10 F2 O4P 21 21 218.3866; 8.4182; 10.232
90; 90; 90
722.38Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno
Synthesis of vicinal dideoxy-difluorinated galactoses.
Organic & biomolecular chemistry, 2019, 17, 5331-5340
7156869 CIFC100 H35 O20P 1 21/c 121.893; 16.15; 20.433
90; 95.293; 90
7193.7Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.
Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.
Organic & biomolecular chemistry, 2019, 17, 7155-7160
7156870 CIFC31 H30 N O3 PP 1 21/n 19.164; 10.0512; 28.621
90; 90.278; 90
2636.2Boureghda, Chaima; Macé, Aurélie; Berrée, Fabienne; Roisnel, Thierry; Debache, Abdelmadjid; Carboni, Bertrand
Ene reactions of 2-borylated α-methylstyrenes: a practical route to 4-methylenechromanes and derivatives.
Organic & biomolecular chemistry, 2019, 17, 5789-5800
7156871 CIFC17 H18 O2C 1 2/c 113.7694; 12.6853; 16.4364
90; 107.839; 90
2732.9Wu, Mingchang; Yang, Junhang; Luo, Fang; Cheng, Cungui; Zhu, Gangguo
Iron-catalyzed domino Knoevenagel-hetero-Diels-Alder reaction: facile access to oxabicyclo[3.3.1]nonene derivatives.
Organic & biomolecular chemistry, 2019, 17, 5684-5687
7156872 CIFC28 H21 B F4 O2P -18.1811; 12.0413; 12.5311
74.768; 73.263; 72.295
1105.21Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.
Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.
Organic & biomolecular chemistry, 2019, 17, 5520-5525
7156873 CIFC30 H30 B Cl O4P -19.8844; 11.0536; 12.8011
72.871; 85.108; 75.762
1295.41Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.
Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.
Organic & biomolecular chemistry, 2019, 17, 5520-5525
7156876 CIFC11 H9 N3 O6 SP b c a6.495; 17.713; 21.586
90; 90; 90
2483Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin
Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.
Organic & biomolecular chemistry, 2019, 17, 5509-5513
7156877 CIFC15 H11 N O3P c a 2112.8593; 14.1412; 6.7109
90; 90; 90
1220.35Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua
Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.
Organic & biomolecular chemistry, 2019, 17, 5902-5907

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