Crystallography Open Database

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7156664 CIFC35 H49 N O4C 1 2 136.5813; 6.2452; 13.6063
90; 91.068; 90
3107.9Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen
Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.
Organic & biomolecular chemistry, 2019, 17, 2107-2109
7157000 CIFC24 H26 N2 SC 1 2 111.1159; 13.1734; 28.2695
90; 96.402; 90
4113.81Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Organic & biomolecular chemistry, 2019, 17, 7782-7793
7157009 CIFC26 H30 N3 O0.5 SC 1 2 114.3834; 10.6941; 29.8026
90; 98.643; 90
4532.1Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Organic & biomolecular chemistry, 2019, 17, 7782-7793
7156300 CIFC24 H30 N2C 1 2/c 124.779; 8.6962; 17.543
90; 100.152; 90
3721Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.
An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.
Organic & biomolecular chemistry, 2019, 17, 1854-1861
7156525 CIFC20 H33 B O2 S2C 1 2/c 119.3829; 11.6584; 12.0827
90; 127.88; 90
2155.08Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156608 CIFC31 H51 N2 Sc Si2C 1 2/c 138.238; 10.441; 17.4643
90; 98.199; 90
6901.2Su, Jianhong; Zhou, Yiqun; Xu, Xin
Hydroaminoalkylation of sterically hindered alkenes with N,N-dimethyl anilines using a scandium catalyst.
Organic & biomolecular chemistry, 2019, 17, 2013-2019
7156629 CIFC27 H18 N2 O2C 1 2/c 116.4009; 7.8236; 31.4855
90; 102.498; 90
3944.3Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong
Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.
Organic & biomolecular chemistry, 2019, 17, 958-965
7156657 CIFC28 H19 B F4 N2C 1 2/c 131.9; 9.7621; 15.5417
90; 107.394; 90
4618.5Talukdar, Kangkan; Roy, Subhasish; Bag, Raghunath; Punniyamurthy, Tharmalingam
Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.
Organic & biomolecular chemistry, 2019, 17, 2148-2152
7156660 CIFC17 H22 N2 O2C 1 2/c 118.8452; 5.9542; 27.679
90; 103.868; 90
3015.3Li, Bang; Mao, Qi; Zhou, Jia; Liu, Feng; Ye, Na
HFIP-promoted Michael reactions: direct para-selective C-H activation of anilines with maleimides.
Organic & biomolecular chemistry, 2019, 17, 2242-2246
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
7156729 CIFC24 H22 Cl N OC 1 2/c 117.424; 12.1; 19.028
90; 101.189; 90
3935.4Wu, Qiong; Li, Gui-Lin; Yang, Shuang; Shi, Xiao-Qin; Huang, Tian-Zi; Du, Xi-Hua; Chen, Yan
A chemo- and regioselective C6-functionalization of 2,3-disubstituted indoles: highly efficient synthesis of diarylindol-6-ylmethanes.
Organic & biomolecular chemistry, 2019, 17, 3462-3470
7156768 CIFC11 H8 O3 SC 1 2/c 116.1338; 8.5259; 14.364
90; 114.544; 90
1797.31Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7156784 CIFC41 H32 N O3C 1 2/c 142.209; 10.8705; 32.818
90; 124.056; 90
12475Purnachandar, Dalovai; Suneel, Kanaparthy; Balasubramanian, Sridhar; Karunakar, Galla V.
Gold-carbene assisted formation of tetraarylmethane derivatives: double X-H activation by gold.
Organic & biomolecular chemistry, 2019, 17, 4856-4864
7156806 CIFC47 H53 N O12C 1 2/c 142.729; 12.651; 16.865
90; 95.628; 90
9073Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke
Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.
Organic & biomolecular chemistry, 2019, 17, 4975-4978
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
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
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
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
7156933 CIFC26 H21 Br N2 O11C 1 2/c 117.9781; 10.33117; 27.7978
90; 93.5433; 90
5153.15Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.
[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.
Organic & biomolecular chemistry, 2019, 17, 6821-6830
7156976 CIFC23 H20 Cl2 O6C 1 2/c 112.9425; 15.6165; 10.6618
90; 101.551; 90
2111.3Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian
A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.
Organic & biomolecular chemistry, 2019, 17, 6998-7001
7156985 CIFC21 H15 N O3C 1 2/c 116.076; 8.828; 11.834
90; 103.487; 90
1633.2Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael
Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.
Organic & biomolecular chemistry, 2019, 17, 7517-7525
7157012 CIFC80 H80 N2 O4C 1 2/c 125.978; 16.4871; 16.06
90; 94.502; 90
6857.3Wang, Lijiao; Hao, Wei; Han, Yanbing; Shi, Yamei; Li, Shuzhou; Zhang, Chunfang; Xiao, Jinchong
Facile and versatile access to substituted hexabenzoovalene derivatives: characterization and optoelectronic properties.
Organic & biomolecular chemistry, 2019, 17, 7964-7972
7157024 CIFC37 H30 Cl2 F N5 O3C 1 2/c 133.399; 7.9839; 26.148
90; 110.495; 90
6531.1Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo
Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.
Organic & biomolecular chemistry, 2019, 17, 8008-8013
7157033 CIFC29 H24 N O4 PC 1 2/c 122.6531; 11.2558; 20.1149
90; 105.379; 90
4945.2Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun
Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.
Organic & biomolecular chemistry, 2019, 17, 8175-8184
7157045 CIFC24 H15 N5 O7C 1 2/c 120.993; 16.92; 13.496
90; 119.796; 90
4160Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.
Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.
Organic & biomolecular chemistry, 2019, 17, 8221-8233
7157051 CIFC23 H24 Br N5 O3C 1 2/c 120.5473; 10.6285; 22.3229
90; 108.475; 90
4623.8Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun
Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.
Organic & biomolecular chemistry, 2019, 17, 8374-8378
7157071 CIFC29 H28 N2 O4C 1 2/c 131.713; 9.7; 18.993
90; 121.61; 90
4976Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding
Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.
Organic & biomolecular chemistry, 2019, 17, 8745-8748
7157144 CIFC46 H45 Br2 N6 O6C 1 2/c 124.8162; 11.0757; 34.2851
90; 100.28; 90
9272.2Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu
Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.
Organic & biomolecular chemistry, 2019, 17, 9390-9402
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
7157002 CIFC28 H37 N3 O2 SC 2 2 2111.09166; 13.89141; 34.8221
90; 90; 90
5365.35Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Organic & biomolecular chemistry, 2019, 17, 7782-7793
7156650 CIFC120 H164 N20 O18F d d 227.0176; 36.9735; 14.7072
90; 90; 90
14691.5Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.
Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.
Organic & biomolecular chemistry, 2019, 17, 1423-1435
7156952 CIFC122 H158 Cl6 N12 O24I 1 2 123.7456; 29.0274; 27.4514
90; 101.549; 90
18538.4Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina
Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.
Organic & biomolecular chemistry, 2019, 17, 6980-6984
7157015 CIFC31 H26 N2 O4 SI 1 2 112.1351; 8.4982; 26.9828
90; 95.024; 90
2772Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil
The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction.
Organic & biomolecular chemistry, 2019, 17, 8140-8148
7156670 CIFC75 H106 Ag F3 N6 O21 SI 1 2/a 128.3764; 22.9821; 26.0316
90; 110.512; 90
15900.2Lewis, James E. M.
Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.
Organic & biomolecular chemistry, 2019, 17, 2442-2447
7156771 CIFC15 H11 F2 N5I 1 2/a 125.282; 3.7619; 35.085
90; 92.481; 90
3333.7Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V.
An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation.
Organic & biomolecular chemistry, 2019, 17, 4129-4138
7157125 CIFC10 H9 F2 N3 OI 1 2/a 115.8495; 10.2381; 13.1866
90; 104.544; 90
2071.2You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang
Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.
Organic & biomolecular chemistry, 2019, 17, 9343-9347
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
7157227 CIFC23 H23 N3 O2I 41/a :238.315; 38.315; 5.547
90; 90; 90
8143.2Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios
Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.
Organic & biomolecular chemistry, 2019, 17, 9585-9604
7156662 CIFC17 H20 O7I b a 225.1245; 17.8586; 7.11686
90; 90; 90
3193.25Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong
Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013.
Organic & biomolecular chemistry, 2019, 17, 2182-2186
7156298 CIFC26 H30 F2 O2P -18.719; 9.572; 12.839
73.103; 81.352; 77.937
998Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.
An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.
Organic & biomolecular chemistry, 2019, 17, 1854-1861
7156464 CIFC27 H23 O3P -19.8049; 9.8109; 11.398
87.971; 75.802; 85.937
1060.08Yaragorla, Srinivasarao; Rajesh, P.
Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.
Organic & biomolecular chemistry, 2019, 17, 1924-1928
7156465 CIFC28 H26 O3P -19.9166; 10.0554; 12.1593
106.883; 98.953; 94.007
1137.6Yaragorla, Srinivasarao; Rajesh, P.
Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.
Organic & biomolecular chemistry, 2019, 17, 1924-1928
7156524 CIFC8 H6 Cl2 O2 SP -14.9268; 7.7; 12.5316
89.531; 82.298; 77.518
459.87Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156541 CIFC24 H19 N O3P -15.8336; 11.4947; 14.982
77.575; 81.412; 77.375
951.8Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin
Oxidative cross-dehydrogenative [2 + 3] annulation of α-amino ketones with α-keto esters: concise synthesis of clausenamide analogues.
Organic & biomolecular chemistry, 2019, 17, 1740-1743
7156573 CIFC27 H22 N4 O2 SP -111.0331; 11.2615; 19.3004
92.446; 93.38; 111.994
2214.2Samala, Srinivas; Ryu, Do Hyun; Song, Choong Eui; Yoo, Eun Jeong
Multicomponent dipolar cycloadditions: efficient synthesis of polycyclic fused pyrrolizidines via azomethine ylides.
Organic & biomolecular chemistry, 2019, 17, 1773-1777
7156597 CIFC54 H46 Cl2 N4 O6P -18.9496; 9.6224; 14.1054
100.823; 90.1216; 110.257
1116.34Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua
Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.
Organic & biomolecular chemistry, 2018, 17, 103-107
7156611 CIFC22 H17 Br N2 O6P -18.0079; 10.6912; 12.9965
79.773; 82.666; 69.817
1025.11Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.
A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.
Organic & biomolecular chemistry, 2019, 17, 3884-3893
7156612 CIFC16 H10 N2 O5 SP -17.552; 8.2283; 12.801
74.726; 86.674; 72.819
732.95McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.
Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.
Organic & biomolecular chemistry, 2019, 17, 622-638
7156616 CIFC16 H11 N O3 SP -17.342; 8.954; 11.714
70.226; 83.607; 72.23
690.1McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.
Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.
Organic & biomolecular chemistry, 2019, 17, 622-638
7156623 CIFC27 H29 Br Cl O2 RhP -18.2888; 8.8488; 17.556
79.844; 81.31; 89.519
1252.71Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu
[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.
Organic & biomolecular chemistry, 2019, 17, 1191-1201

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