Crystallography Open Database

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7156240 CIFC56 H47 N3 O5 SP 1 21/c 114.816; 28.03; 12.06
90; 113.633; 90
4588Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro
Modular synthesis of heptaarylindole.
Organic & biomolecular chemistry, 2018, 16, 3771-3776
7156241 CIFC47 H44 Cl3 N OP 1 21/c 111.365; 13.805; 25.674
90; 92.439; 90
4024.4Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro
Modular synthesis of heptaarylindole.
Organic & biomolecular chemistry, 2018, 16, 3771-3776
7156242 CIFC50 H41 Cl3 F3 N O3 SP -19.7851; 10.7442; 22.106
103.099; 95.707; 98.173
2219.6Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro
Modular synthesis of heptaarylindole.
Organic & biomolecular chemistry, 2018, 16, 3771-3776
7156243 CIFC44 H40 N2 O3 SP 1 21/n 114.744; 9.8309; 25.091
90; 94.077; 90
3627.7Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro
Modular synthesis of heptaarylindole.
Organic & biomolecular chemistry, 2018, 16, 3771-3776
7156244 CIFC31 H22 B4 Cl2 F8 N8 O2 S2P 1 21/c 19.0994; 17.118; 11.3594
90; 98.095; 90
1751.8Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng
AIE-active boron complexes based on benzothiazole-hydrazone chelates.
Organic & biomolecular chemistry, 2018, 16, 4977-4984
7156245 CIFC39 H26 B4 Cl2 F8 N8 O2 S2P 1 21/n 110.6491; 22.7467; 17.0946
90; 104.248; 90
4013.5Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng
AIE-active boron complexes based on benzothiazole-hydrazone chelates.
Organic & biomolecular chemistry, 2018, 16, 4977-4984
7156246 CIFC19 H11 B F2 N4 SP 1 21/c 113.7279; 8.6809; 14.7591
90; 105.207; 90
1697.3Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng
AIE-active boron complexes based on benzothiazole-hydrazone chelates.
Organic & biomolecular chemistry, 2018, 16, 4977-4984
7156247 CIFC15 H9 B F2 N4 O0 SP 1 21/c 111.0689; 10.5398; 25.7733
90; 109.097; 90
2841.3Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng
AIE-active boron complexes based on benzothiazole-hydrazone chelates.
Organic & biomolecular chemistry, 2018, 16, 4977-4984
7156248 CIFC15 H11 N OP 21 21 216.4849; 7.9199; 21.9097
90; 90; 90
1125.28Wang, Zheng; Xu, Ming-Hua
Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.
Organic & biomolecular chemistry, 2018, 16, 4633-4640
7156249 CIFC24 H33 N3 O6 SP 1 21/c 119.0398; 8.7917; 15.4377
90; 103.834; 90
2509.2Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail
Mixed carboxylic-sulfonic anhydride in reaction with imines: a straightforward route to water-soluble β-lactams via a Staudinger-type reaction.
Organic & biomolecular chemistry, 2018, 16, 3989-3998
7156250 CIFC38 H31 N O4P -19.843; 12.3941; 13.6713
75.947; 81.791; 66.836
1485.4Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156251 CIFC38 H31 N O5P -112.6224; 13.4198; 18.628
69.695; 86.767; 88.299
2954.4Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156252 CIFC37 H28 Cl N O4P 1 21/c 114.5654; 22.655; 8.9813
90; 103.56; 90
2881Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156253 CIFC36 H28 N2 O4P 1 21/c 19.215; 22.358; 17.565
90; 111.492; 90
3367.3Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156254 CIFC29 H27 N O3P 1 21/c 18.9074; 24.06; 11.549
90; 112.68; 90
2283.7Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156255 CIFC22 H20 Br N O3P b c a8.7048; 19.6596; 22.0693
90; 90; 90
3776.8Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156256 CIFC28 H24 N2 O5C 1 2/c 117.485; 23.214; 13.752
90; 90.437; 90
5582Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156257 CIFC28 H26 Cl2 N2 O3P 1 21/c 115.2237; 12.7126; 15.0411
90; 119.6; 90
2531.1Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156258 CIFC27 H24 N2 O3P -17.3088; 12.204; 12.7704
110.563; 96.8007; 96.6011
1043.87Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156259 CIFC21 H20 N2 O3P 1 21/c 112.2787; 8.6166; 16.4475
90; 103.03; 90
1695.4Cao, Jun; Sun, Jing; Yan, Chao-Guo
Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Organic & biomolecular chemistry, 2018, 16, 4170-4175
7156260 CIFC23 H22 N2 O6P 21 21 219.6235; 13.3554; 16.7938
90; 90; 90
2158.4Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping
Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.
Organic & biomolecular chemistry, 2018, 16, 3801-3808
7156261 CIFC11 H21 Cl N2 OP -110.1121; 10.442; 12.0205
95.695; 91.086; 97.671
1251.02Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz
Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.
Organic & biomolecular chemistry, 2018, 16, 4108-4116
7156262 CIFC8 H18 Cl N OP 1 21/c 111.319; 10.9194; 7.7658
90; 90.269; 90
959.8Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz
Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.
Organic & biomolecular chemistry, 2018, 16, 4108-4116
7156263 CIFC16 H19 N3 O3P b c a10.2591; 9.6617; 30.5377
90; 90; 90
3026.9Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.
A convergent strategy towards febrifugine and related compounds.
Organic & biomolecular chemistry, 2018, 16, 4159-4169
7156264 CIFC15 H15 Cl N4P 1 21/n 110.585; 8.8309; 15.039
90; 96.741; 90
1396.1Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin
Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.
Organic & biomolecular chemistry, 2018, 16, 4223-4226
7156265 CIFC30 H26 Br2 Cl0 N4 O2 PdP c a 2140.319; 8.136; 8.974
90; 90; 90
2944Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan
Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.
Organic & biomolecular chemistry, 2018, 16, 4357-4364
7156266 CIFC72 H112 N2 O8 P2P 1 21/c 121.0973; 11.579; 14.9601
90; 109.03; 90
3454.81Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A.
Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers.
Organic & biomolecular chemistry, 2018, 16, 4183-4190
7156267 CIFC18 H19 N O2P 1 21/n 15.4408; 10.1935; 27.458
90; 91.789; 90
1522.1Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng
The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.
Organic & biomolecular chemistry, 2018, 16, 4439-4442
7156268 CIFC24 H32 Br O4 PP -110.215; 11.4694; 12.0747
115.285; 93.898; 92.846
1271.3Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.
Organic & biomolecular chemistry, 2018, 16, 4623-4627
7156269 CIFC27 H39 N2 O4 PP 21 21 219.947; 15.743; 18.185
90; 90; 90
2847.7Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.
Organic & biomolecular chemistry, 2018, 16, 4623-4627
7156270 CIFC H Br0 N OP 1 21/n 17.8543; 20.6582; 8.3912
90; 116.689; 90
1216.46Wang, Rui-Xiang; Yuan, Si-Tian; Liu, Jin-Biao; Wu, Jie; Qiu, Guanyinsheng
Regioselective 5-exo-dig oxy-cyclization of 2-alkynylbenzamide for the synthesis of isobenzofuran-1-imines and isobenzofuran.
Organic & biomolecular chemistry, 2018, 16, 4501-4508
7156271 CIFC11 H7 F3 N2 O2P 1 21/c 14.568; 16.1861; 15.8035
90; 115.336; 90
1056.09You, Chang; Yuan, Tingting; Huang, Yanzhen; Pi, Chao; Wu, Yangjie; Cui, Xiuling
Rhodium-catalyzed regioselective C8-H amination of quinoline N-oxides with trifluoroacetamide at room temperature.
Organic & biomolecular chemistry, 2018, 16, 4728-4733
7156272 CIFC19 H21 N O5P -19.2521; 9.8028; 9.9294
75.679; 88.544; 79.757
858.51Chen, Rongxiang; Ogunlana, Abosede Adejoke; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Bao, Xiaoguang; Wan, Xiaobing
In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles.
Organic & biomolecular chemistry, 2018, 16, 4683-4687
7156273 CIFC15 H15 N O4P 1 21 16.2246; 26.4216; 8.1454
90; 93.774; 90
1336.72Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe
Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.
Organic & biomolecular chemistry, 2018, 16, 4688-4700
7156274 CIFC26 H24 N2 O5 SP -110.5259; 10.5345; 10.834
91.068; 104.536; 100.359
1141.4de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.
On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.
Organic & biomolecular chemistry, 2018, 16, 4778-4783
7156275 CIFC31 H27 N3 O4 SP n a 2111.8735; 18.6709; 11.878
90; 90; 90
2633.22de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.
On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.
Organic & biomolecular chemistry, 2018, 16, 4778-4783
7156276 CIFC20 H19 Br O4 SP -17.5123; 12.1628; 12.1719
63.522; 79.736; 89.681
976.11Hou, Yading; Zhang, Yuwen; Tong, Xiaofeng
Phosphine-catalysed α-umpolung addition of nucleophiles to δ-acetoxy allenoates: stereoselective synthesis of 2,4-dienoates.
Organic & biomolecular chemistry, 2018, 16, 5245-5249
7156277 CIFC32 H52 B N3 O2P b c a17.9063; 21.5998; 33.6902
90; 90; 90
13030.4Boghi, Michele; Hall, Dennis G.
Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.
Organic & biomolecular chemistry, 2018, 16, 4849-4856
7156278 CIFC16 H14 N2 O2P 1 21/c 18.9; 9.5626; 15.9864
90; 98.4476; 90
1345.8Boghi, Michele; Hall, Dennis G.
Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.
Organic & biomolecular chemistry, 2018, 16, 4849-4856
7156279 CIFC35 H50 B N3 O2P 1 21/c 19.7871; 17.5209; 19.0833
90; 94.1963; 90
3263.61Boghi, Michele; Hall, Dennis G.
Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.
Organic & biomolecular chemistry, 2018, 16, 4849-4856
7156280 CIFC17 H21 B N3 O3 SP 1 21/c 112.7713; 7.9352; 17.9462
90; 94.7903; 90
1812.37Boghi, Michele; Hall, Dennis G.
Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.
Organic & biomolecular chemistry, 2018, 16, 4849-4856
7156281 CIFC28 H44 Br N O4 SP 21 21 215.6897; 11.2486; 45.457
90; 90; 90
2909.3Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos
Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.
Organic & biomolecular chemistry, 2018, 16, 4650-4658
7156282 CIFC20 H19 N3 OP b c a19.497; 8.597; 19.553
90; 90; 90
3277.4Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.
Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.
Organic & biomolecular chemistry, 2018, 16, 4840-4848
7156283 CIFC10 H10 F2 N4 O8P b c n12.1505; 10.471; 10.2881
90; 90; 90
1308.9Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun
Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.
Organic & biomolecular chemistry, 2018, 16, 4784-4788
7156284 CIFC25 H38 N2 O3 SC 1 2 125.58; 7.18; 16.94
90; 125.27; 90
2540Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè
General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.
Organic & biomolecular chemistry, 2018, 16, 4807-4815
7156285 CIFC19 H16 Br N3 O5 SP -17.3579; 8.8158; 15.8511
85.431; 88.543; 72.739
978.77Zhao, Mei-Xin; Dong, Zhi-Wen; Zhu, Guang-Yu; Zhao, Xiao-Li; Shi, Min
Diastereo- and enantioselective Mannich/cyclization cascade reaction of isocyanoacetates with cyclic sulfamide ketimines by cinchona alkaloid squaramide/AgOAc cooperative catalysis.
Organic & biomolecular chemistry, 2018, 16, 4641-4649
7156286 CIFC29 H26 N2 O3P b c a10.1449; 11.6133; 40.0056
90; 90; 90
4713.29Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming
Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.
Organic & biomolecular chemistry, 2018, 16, 4996-5005
7156287 CIFC14 H11 N3 O3 SP 1 21/n 110.471; 10.038; 13.551
90; 101.028; 90
1398Wang, Qijun; Wang, Chang; Shi, Wangyu; Xiao, Yumei; Guo, Hongchao
Pd-Catalyzed diastereoselective [3 + 2] cycloaddition of vinylcyclopropanes with sulfamate-derived cyclic imines.
Organic & biomolecular chemistry, 2018, 16, 4881-4887
7156288 CIFC36 H40 Cl N3 Ni O4P 21 21 216.2383; 15.367; 32.9494
90; 90; 90
3158.66Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.
Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.
Organic & biomolecular chemistry, 2018, 16, 4968-4972
7156289 CIFC14 H14 O4P b c a10.287; 11.291; 20.866
90; 90; 90
2423.6Hsu, Day-Shin; Liou, Chang-Yan
Total synthesis and structural revision of (±)-nidemone.
Organic & biomolecular chemistry, 2018, 16, 4990-4995

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