Crystallography Open Database

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1552259 CIFC10 H6 Cl N O2P 1 21/c 18.082; 5.884; 19.02
90; 101.21; 90
887.2Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng
B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.
Organic & biomolecular chemistry, 2019, 17, 8354-8357
1552260 CIFC11 H8 Cl N O2P 1 21/c 110.406; 9.108; 10.949
90; 104.637; 90
1004Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng
B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.
Organic & biomolecular chemistry, 2019, 17, 8354-8357
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
7156299 CIFC26 H32P 1 21/n 114.3431; 9.3243; 15.4742
90; 111.719; 90
1922.6Singh, 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
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
7156392 CIFC11 H14 O3P 1 21/c 16.6421; 9.7101; 15.1008
90; 97.188; 90
966.28Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping
Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.
Organic & biomolecular chemistry, 2019, 17, 1886-1892
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
7156490 CIFC29 H24 O3 SP 21 21 217.942; 16.844; 17.488
90; 90; 90
2339Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.
Organic & biomolecular chemistry, 2019, 17, 1937-1946
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
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
7156526 CIFC21 H18 Cl2 O3 SP 1 21/n 112.7042; 7.6415; 19.807
90; 102.369; 90
1878.2Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156527 CIFC21 H18 Cl2 O3 SP c a 2116.0174; 15.9817; 7.3482
90; 90; 90
1881Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156528 CIFC21 H18 Cl2 O4 SP 1 21/n 19.3294; 21.9444; 10.2119
90; 104.342; 90
2025.51Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156529 CIFC21 H18 Cl2 O4 SP 1 21/c 112.7347; 14.3201; 22.21
90; 106.007; 90
3893.2Hoffmann, 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
7156552 CIFC68 H68 Cl4 F12 N4 O8 S4P 21 21 2115.1112; 15.5876; 31.4003
90; 90; 90
7396.3Qin, Tian; Jiang, Quanbin; Ji, Jieying; Luo, Jie; Zhao, Xiaodan
Chiral selenide-catalyzed enantioselective synthesis of trifluoromethylthiolated 2,5-disubstituted oxazolines.
Organic & biomolecular chemistry, 2019, 17, 1763-1766
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
7156580 CIFC22 H25 O9P 1 21 16.8362; 15.7227; 10.0317
90; 95.182; 90
1073.84Nayak, Sabita; Panda, Pravati; Raiguru, Bishnu Prasad; Mohapatra, Seetaram; Purohit, Chandra Shekhar
Base mediated green synthesis of enantiopure 2-C-spiro-glycosyl-3-nitrochromenes.
Organic & biomolecular chemistry, 2018, 17, 74-82
7156590 CIFC29 H23 N O3P 1 21/n 115.1652; 15.1364; 19.9955
90; 106.48; 90
4401.3Haldar, Surajit; Jana, Chandan K.
Direct (het)arylation of tetrahydroisoquinolines via a metal and oxidant free C(sp<sup>3</sup>)-H functionalization enabled three component reaction.
Organic & biomolecular chemistry, 2019, 17, 1800-1804
7156596 CIFC2.53 H2.27 N0.13 O0.13P b c a16.7527; 9.2802; 19.428
90; 90; 90
3020.4Xiao, 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
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
7156598 CIFC10 H7 Br I NP b c a10.5281; 7.794; 25.907
90; 90; 90
2125.8Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen
Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.
Organic & biomolecular chemistry, 2018, 17, 156-164
7156599 CIFC16 H12 Br NP b c n13.856; 6.4827; 28.807
90; 90; 90
2587.6Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.
Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.
Organic & biomolecular chemistry, 2019, 17, 347-353
7156600 CIFC24 H22 N2 O3P 1 21 111.6212; 6.9157; 12.8041
90; 109.534; 90
969.82Motaghi, Milad; Khosravi, Hormoz; Balalaie, Saeed; Rominger, Frank
Catalytic formal [4 + 1] isocyanide-based cycloaddition: an efficient strategy for the synthesis of 1H-cyclopenta[b]quinolin-1-one derivatives.
Organic & biomolecular chemistry, 2019, 17, 275-282
7156601 CIFC16 H12 Br NP b c n13.856; 6.4827; 28.807
90; 90; 90
2587.6Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S
Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.
Organic & biomolecular chemistry, 2019, 17, 283-289
7156602 CIFC29 H27 N O5 S2P 1 21/n 114.943; 10.893; 16.259
90; 90.199; 90
2646.5Undeela, Sridhar; Chandra, Rajesh; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.
Gold-catalysed regioselective cascade cycloisomerisation reactions of aza-enediynes for the synthesis of substituted benzoisoquinoline derivatives.
Organic & biomolecular chemistry, 2019, 17, 369-373
7156603 CIFC27 H39 N3 O6P 1 21 110.8594; 7.3763; 15.5152
90; 92.469; 90
1241.65Alkayar, Ziad T. I.; Coldham, Iain
Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.
Organic & biomolecular chemistry, 2018, 17, 66-73
7156604 CIFC25 H24 Br N3 OP 1 21/n 110.1801; 10.2257; 21.1176
90; 103.581; 90
2136.8Wang, Kai-Kai; Li, Yan-Li; Wang, Zhan-Yong; Hu, Meng-Wei; Qiu, Ting-Ting; Zhu, Bao-Ku
Cross 1,3-dipolar cycloadditions of C,N-cyclic azomethine imines with an N-benzyl azomethine ylide: facile access to fused tricyclic 1,2,4-hexahydrotriazines.
Organic & biomolecular chemistry, 2019, 17, 244-247
7156605 CIFC11.5 H10.5 N1.5 OP 1 21 110.5966; 7.8609; 11.8783
90; 114.143; 90
902.899Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng
Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.
Organic & biomolecular chemistry, 2019, 17, 1053-1057
7156606 CIFC20 H32 O11P 21 21 216.9268; 7.6212; 39.643
90; 90; 90
2092.8Wang, Junfeng; Qin, Li; Zhao, Biqing; Cai, Liang; Zhong, Zhenping; Liu, Yonghong; Zhou, Xiaojiang
Crotonols A and B, two rare tigliane diterpenoid derivatives against K562 cells from Croton tiglium.
Organic & biomolecular chemistry, 2018, 17, 195-202
7156607 CIFC15 H17 N OP 21 21 217.1064; 10.3163; 15.973
90; 90; 90
1171Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E
Highly selective AlCl<sub>3</sub> initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.
Organic & biomolecular chemistry, 2018, 17, 49-52
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
7156609 CIFC15 H10 Br N O3P 1 21/c 111.436; 8.3742; 14.1928
90; 94.648; 90
1354.74da Silva, Vitor A. F.; da Silva, Gustavo P.; Matsuo, Bianca T.; Ali, Akbar; Davis, Rebecca L.; Zukerman-Schpector, Julio; Corrêa, Arlene G; Paixão, Márcio W
Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid.
Organic & biomolecular chemistry, 2019, 17, 519-526
7156610 CIFC25 H21 Br N2 O8P 1 21/a 18.5538; 28.5184; 9.9217
90; 104.085; 90
2347.5Bakthadoss, 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
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
7156613 CIFC20 H19 N O3 SP 1 21/c 111.0131; 11.9246; 14.5681
90; 107.106; 90
1828.55McCaw, 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
7156614 CIFC16 H9 F2 N O2 SP 1 21/c 114.0083; 8.7108; 11.5419
90; 105.733; 90
1355.62McCaw, 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
7156615 CIFC17 H12 F N O3 SP b c a15.237; 11.212; 17.948
90; 90; 90
3066.2McCaw, 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
7156617 CIFC19 H18 Cl F O2P 1 21 18.1792; 22.368; 9.641
90; 90.631; 90
1763.7Schlinquer, Claire; Huang, Wei-Sheng; Chen, Ling; Poisson, Thomas; Pannecoucke, Xavier; Charette, André B; Jubault, Philippe
Rhodium catalysed enantioselective synthesis of mono-(halo)-methyl-cyclopropanes.
Organic & biomolecular chemistry, 2019, 17, 472-476
7156618 CIFC21 H16 N2 O2P 1 21/c 16.1601; 16.0224; 16.6437
90; 99.193; 90
1621.6Shen, Jiabin; Xu, Jun; Cai, Heng; Shen, Chao; Zhang, Pengfei
Platinum(ii)-catalyzed selective para C-H alkoxylation of arylamines through a coordinating activation strategy.
Organic & biomolecular chemistry, 2019, 17, 490-497
7156619 CIFC13 H10 Br Cl N2 O2P 21 21 215.9701; 7.3338; 31.4408
90; 90; 90
1376.59Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin
Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.
Organic & biomolecular chemistry, 2019, 17, 639-645
7156620 CIFC15 H19 N O3P 1 21/c 110.3681; 11.3036; 13.4537
90; 111.487; 90
1467.15Khopade, Tushar M.; Warghude, Prakash K.; Sonawane, Amol D.; Bhat, Ramakrishna G.
Multicomponent synthesis of pyroglutamic acid derivatives via Knoevenagel-Michael-hydrolysis-lactamization-decarboxylation (KMHL-D) sequence.
Organic & biomolecular chemistry, 2019, 17, 561-566
7156621 CIFC36 H49 N O3P 21 21 217.3603; 16.4621; 24.344
90; 90; 90
2949.7Khusnutdinova, Elmira F.; Kazakova, Oxana B.; Lobov, Alexander N.; Kukovinets, Olga S.; Suponitsky, Kyrill Yu; Meyers, Craig B.; Prichard, Mark N.
Synthesis of A-ring quinolones, nine-membered oxolactams and spiroindoles by oxidative transformations of 2,3-indolotriterpenoids.
Organic & biomolecular chemistry, 2019, 17, 585-597
7156622 CIFC21 H26 Cl O2 RhP 1 21 17.2468; 11.3553; 12.5163
90; 98.095; 90
1019.7Ng, 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
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
7156624 CIFC140 H120 O20P 1 21 113.391; 10.239; 21.4
90; 106.18; 90
2818Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan
Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.
Organic & biomolecular chemistry, 2019, 17, 541-554
7156625 CIFC35 H30 O5P 21 21 2111.362; 15.3627; 16.0741
90; 90; 90
2805.8Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan
Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.
Organic & biomolecular chemistry, 2019, 17, 541-554

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