Crystallography Open Database

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7158520 CIFC3.43 H2.29 N0.29 O0.71 S0.14P 1 21/n 18.2185; 15.6692; 16.9546
90; 92.798; 90
2180.8Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
Organic & biomolecular chemistry, 2022, 20, 1982-1993
7158522 CIFC10 H16 O5 SP 21 21 215.457; 10.698; 21.399
90; 90; 90
1249.3Chen, Wei-Li; Liu, Zhang-Wei; Wang, Ying-Chun; Ma, Xiao-Pan; Mo, Dong-Liang
MnSO<sub>4</sub>-promoted S-O bond cleavage for synthesizing functionalized sulfonium ylides from activated alkynes and sulfoxides.
Organic & biomolecular chemistry, 2022, 20, 1656-1661
7158523 CIFC26 H32 N2 O3P 1 21/n 19.1754; 19.184; 13.4902
90; 100.044; 90
2338.17Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs
Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.
Organic & biomolecular chemistry, 2022, 20, 1933-1944
7158524 CIFC28 H32 N2 O7P b c a7.7233; 23.323; 30.276
90; 90; 90
5453.6Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs
Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.
Organic & biomolecular chemistry, 2022, 20, 1933-1944
7158525 CIFC29 H42 O9P 1 21 114.8186; 6.1275; 17.0159
90; 103.869; 90
1500.02Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158526 CIFC24 H36 O5P 21 21 218.9657; 13.2198; 18.8147
90; 90; 90
2230.01Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158527 CIFC29 H44 O8P 21 21 219.97027; 13.27902; 20.904
90; 90; 90
2767.59Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158528 CIFC25 H46 O6P 21 21 217.4781; 12.81; 25.4104
90; 90; 90
2434.2Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158529 CIFC24 H36 O6P 21 21 220.4236; 11.2645; 10.8753
90; 90; 90
2501.99Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158530 CIFC24.19 H42.38 O7P 21 21 218.31799; 10.12992; 28.0673
90; 90; 90
2364.97Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158531 CIFC25 H42 O4P 6532.26794; 32.26794; 6.19392
90; 90; 120
5585.2Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158532 CIFC22 H15 Br F3 N O2 S SeP -19.0368; 9.7879; 12.8089
72.001; 83.06; 79.877
1058.06Wang, Hui; Yao, Yunfei; You, Yi; Huang, Yangjie; Weng, Zhiqiang
An aerobic copper-mediated domino process for the synthesis of 3-(trifluoromethylseleno)indoles.
Organic & biomolecular chemistry, 2022, 20, 2115-2120
7158576 CIFC18 H14 O3P -15.5942; 10.5681; 11.9447
102.226; 92.692; 90.534
689.26Krishna, Anugam V.; Ramachary, Dhevalapally B.
The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.
Organic & biomolecular chemistry, 2022, 20, 3948-3954
7158577 CIFC17 H12 O4P 1 21/c 110.4584; 3.9248; 31.2078
90; 95.455; 90
1275.19Krishna, Anugam V.; Ramachary, Dhevalapally B.
The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.
Organic & biomolecular chemistry, 2022, 20, 3948-3954
7158578 CIFC18 H14 O4P -15.442; 10.6713; 12.7912
71.516; 87.083; 75.865
682.89Krishna, Anugam V.; Ramachary, Dhevalapally B.
The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.
Organic & biomolecular chemistry, 2022, 20, 3948-3954
7158579 CIFC17 H12 O3P 1 21/n 112.3812; 5.5547; 18.6375
90; 94.036; 90
1278.59Krishna, Anugam V.; Ramachary, Dhevalapally B.
The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.
Organic & biomolecular chemistry, 2022, 20, 3948-3954
7158582 CIFC23 H22 Cl N O6P b c a14.998; 12.8933; 21.1475
90; 90; 90
4089.4Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng
Diastereoselective construction of tetracyclic chromanes <i>via</i> a triply annulative strategy.
Organic & biomolecular chemistry, 2022, 20, 3342-3347
7158590 CIFC30 H23 Cl N2 O3 SP 1 21/n 112.9731; 15.1155; 13.3582
90; 94.384; 90
2611.8Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang
Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.
Organic & biomolecular chemistry, 2022, 20, 3486-3490
7158591 CIFC30 H22 N2 O3 SP n a 2121.023; 12.4076; 18.781
90; 90; 90
4898.9Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang
Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.
Organic & biomolecular chemistry, 2022, 20, 3486-3490
7158592 CIFC28 H20 N2 O3 S2P -111.4722; 11.6024; 11.81
112.336; 91.537; 112.501
1315.8Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang
Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.
Organic & biomolecular chemistry, 2022, 20, 3486-3490
7158594 CIFC16 H14 F3 N3 OP -18.1282; 13.2665; 14.8538
111.379; 101.712; 94.591
1439.47Lan, Jianyong; Li, Shaoyun; Lin, Kejun; Zhou, Peng; Chen, Weili; Gao, Liqian; Zhu, Tingshun
The eco-friendly electrosynthesis of trifluoromethylated spirocyclic indolines and their anticancer activity.
Organic & biomolecular chemistry, 2022, 20, 3475-3479
7158595 CIFC28 H24 F N O5 S2P 21 21 216.7215; 18.6021; 20.0805
90; 90; 90
2510.75Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin
α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.
Organic & biomolecular chemistry, 2022, 20, 3263-3267
7158596 CIFC30 H24 Br N3 O7P c a 219.4017; 18.1121; 18.3977
90; 90; 90
3132.84Gu, Congzheng; Tian, Guangzheng; Yin, Qingyu; Wu, Fan; Li, Zhiming; Wu, Xiaoyu
Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters.
Organic & biomolecular chemistry, 2022, 20, 3323-3334
7158611 CIFC21 H22 N2 O5P 1 21/c 15.7351; 41.9722; 8.3858
90; 107.644; 90
1923.63Hsu, Yin-Yin; Luo, Sheng-Qi; Hong, Bor-Cherng; Chien, Su-Ying
A mild one-pot transformation of nitroalkanes to ketones or aldehydes <i>via</i> a visible-light photocatalysis-hydrolysis sequence.
Organic & biomolecular chemistry, 2022, 20, 3292-3302
7158612 CIFC25 H15 F N2 O3P -17.147; 11.942; 12.279
61.56; 87.07; 75.58
889.7Yun, Ei Seul; Akhtar, Muhammad Saeed; Mohandoss, Sonaimuthu; Lee, Yong Rok
Microwave-assisted annulation for the construction of pyrido-fused heterocycles and their application as photoluminescent chemosensors.
Organic & biomolecular chemistry, 2022, 20, 3397-3407
7158616 CIFC25 H16 Cl Cu N5 O2P -18.1305; 9.2545; 14.7289
96.831; 98.583; 104.865
1044.74Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha
A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.
Organic & biomolecular chemistry, 2022, 20, 3540-3549
7158617 CIFC13 H14 O3P 1 21/c 110.881; 10.233; 11.017
90; 108.43; 90
1163.8Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha
A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.
Organic & biomolecular chemistry, 2022, 20, 3540-3549
7158618 CIFC17 H23 B Cl3 N O3C 1 c 18.8732; 23.4482; 10.733
90; 109.856; 90
2100.35Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L.
Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters.
Organic & biomolecular chemistry, 2022, 20, 3287-3291
7158619 CIFC15 H27 N O4P 1 21 110.537; 10.802; 15.329
90; 94.978; 90
1738.2Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar
Total synthesis and stereochemical assignment of bipolamide A acetate.
Organic & biomolecular chemistry, 2022, 20, 3348-3358
7158620 CIFC13 H25 N O5P 1 21 110.7002; 6.0652; 11.85
90; 99.659; 90
758.15Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar
Total synthesis and stereochemical assignment of bipolamide A acetate.
Organic & biomolecular chemistry, 2022, 20, 3348-3358
7158621 CIFC7 H11 N O4P 21 21 215.466; 10.025; 15.193
90; 90; 90
832.5Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar
Total synthesis and stereochemical assignment of bipolamide A acetate.
Organic & biomolecular chemistry, 2022, 20, 3348-3358
7158624 CIFC13 H17 B N5 O0.5I 1 2/a 113.1462; 8.7576; 25.691
90; 102.499; 90
2887.7Zhang, Yifei; Liao, Yangzhen; Liu, Peijun; Ran, Yu; Liu, Xiaozu
Radical borylation of vinyl azides with NHC-boranes: divergent synthesis of α-boryl ketones and borylated triazoles.
Organic & biomolecular chemistry, 2022, 20, 3550-3557
7158625 CIFC25.5 H17 Cl I N O2P 1 21 110.4688; 15.0424; 14.4588
90; 104.344; 90
2205.93Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng
Organocatalytic enantioselective construction of axially chiral (1<i>H</i>)-isochromen-1-imines.
Organic & biomolecular chemistry, 2022, 20, 3277-3282
7158626 CIFC36 H22 Cl2 N4 O5P -18.346; 12.269; 14.899
92.2; 101.408; 92.387
1492.5Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.
Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.
Organic & biomolecular chemistry, 2022, 20, 2939-2963
7158627 CIFC36 H23 Br N4 O5P 1 21/n 113.543; 10.328; 22.564
90; 100.723; 90
3101Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.
Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.
Organic & biomolecular chemistry, 2022, 20, 2939-2963
7158628 CIFC14 H9 N O2P b c a11.6817; 7.6497; 23.7774
90; 90; 90
2124.8Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.
Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.
Organic & biomolecular chemistry, 2022, 20, 2939-2963
7158630 CIFC35 H26 Cl3 F3 N2 O5P 1 21/c 123.784; 18.643; 7.321
90; 90.762; 90
3245.9Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang
Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.
Organic & biomolecular chemistry, 2022, 20, 3564-3569
7158631 CIFC24 H13 F3 N6 O2P b c a15.582; 12.447; 22.472
90; 90; 90
4358.4Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang
Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.
Organic & biomolecular chemistry, 2022, 20, 3564-3569
7158632 CIFC22 H15 F3 N2 O4C 1 c 128.4017; 10.6516; 14.9143
90; 116.751; 90
4029Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang
Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.
Organic & biomolecular chemistry, 2022, 20, 3564-3569
7158636 CIFC8 H11 F N2 O4 SC 1 2/c 120.3525; 5.1265; 23.391
90; 111.209; 90
2275.2Yang, Wen-Fei; Shu, Tao; Chen, Hong-Ru; Qin, Hua-Li; Tang, Haolin
A cascade reaction for regioselective construction of pyrazole-containing aliphatic sulfonyl fluorides.
Organic & biomolecular chemistry, 2022, 20, 3506-3510
7158637 CIFC27 H18 N O4P -19.3467; 15.2593; 16.6257
66.179; 79.925; 88.526
2133.1Tan Uygun, Meltem; Menges, Nurettin
Synthesis of spiroindolenine-cyclopentenedione skeletons and their chemical behaviours: the first example of a lactone-type spiroindolenine structure.
Organic & biomolecular chemistry, 2022, 20, 4161-4166
7158640 CIFC24 H24 N4P 1 21/n 16.554; 12.6859; 23.2169
90; 97.357; 90
1914.4Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S
Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.
Organic & biomolecular chemistry, 2022, 20, 3598-3604
7158641 CIFC19 H19 N5P 1 21/c 17.7193; 19.0741; 10.7854
90; 103.055; 90
1546.98Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S
Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.
Organic & biomolecular chemistry, 2022, 20, 3598-3604
7158642 CIFC34 H28 N3 O3P -110.3432; 11.855; 12.43
79.657; 66.16; 74.86
1341Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long
Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.
Organic & biomolecular chemistry, 2022, 20, 3930-3939
7158643 CIFC37 H35 N3 O4P 1 21/c 115.4317; 13.3076; 15.3933
90; 109.518; 90
2979.5Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long
Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.
Organic & biomolecular chemistry, 2022, 20, 3930-3939
7158644 CIFC37 H33 N3 O3P -18.9864; 9.7311; 18.0784
78.844; 81.754; 75.67
1495.17Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long
Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.
Organic & biomolecular chemistry, 2022, 20, 3930-3939
7158649 CIFC15 H19 N OP 21 21 217.1151; 8.4448; 21.3264
90; 90; 90
1281.41Takagi, Ryukichi; Tanimoto, Takaaki
Enantioselective [2 + 2] photocycloaddition of quinolone using a <i>C</i><sub>1</sub>-symmetric chiral phosphoric acid as a visible-light photocatalyst.
Organic & biomolecular chemistry, 2022, 20, 3940-3947
7158650 CIFC21 H26 Co N2 O5P -4 21 m20.4662; 20.4662; 5.0315
90; 90; 90
2107.52Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
Synthesis of acyloin natural products by Mukaiyama hydration.
Organic & biomolecular chemistry, 2022, 20, 4038-4047
7158651 CIFC17 H22 O5P -18.7844; 10.2193; 18.8935
75.495; 84.894; 88.497
1635.49Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
Synthesis of acyloin natural products by Mukaiyama hydration.
Organic & biomolecular chemistry, 2022, 20, 4038-4047
7158652 CIFC22 H30 N2 O5P -18.3632; 10.7798; 12.6342
67.34; 80.523; 88.594
1035.8Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
Synthesis of acyloin natural products by Mukaiyama hydration.
Organic & biomolecular chemistry, 2022, 20, 4038-4047

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