Crystallography Open Database

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7156878 CIFC12 H16 B N O4P c a 2111.3174; 13.2547; 7.8913
90; 90; 90
1183.76Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
Organic & biomolecular chemistry, 2019, 17, 5908-5912
7156879 CIFC11 H14 B N O4P 1 21/c 113.3622; 9.2625; 8.695
90; 94.734; 90
1072.49Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
Organic & biomolecular chemistry, 2019, 17, 5908-5912
7156880 CIFC28 H21 Br F3 N O4P -110.1546; 10.8743; 13.3084
85.375; 77.474; 63.999
1289.22Winter, Michael; Faust, Kirill; Himmelsbach, Markus; Waser, Mario
Synthesis of α-CF<sub>3</sub>-proline derivatives by means of a formal (3 + 2)-cyclisation between trifluoropyruvate imines and Michael acceptors.
Organic & biomolecular chemistry, 2019, 17, 5731-5735
7156881 CIFC24 H35 N O6P 1 21/c 119.9226; 12.6653; 18.9998
90; 101.605; 90
4696.13Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.
Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.
Organic & biomolecular chemistry, 2019, 17, 5997-6006
7156882 CIFC19 H20 O6P -17.7673; 8.9291; 12.6819
99.235; 90.839; 93.211
866.54O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.
Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.
Organic & biomolecular chemistry, 2019, 17, 6184-6200
7156883 CIFC19 H13 Cl N2 OP 1 21/n 17.943; 8.981; 22.131
90; 96.657; 90
1568.1Kumar, Ritush; Singh, Radhey M.
Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of ethynylated azaheterocycles.
Organic & biomolecular chemistry, 2019, 17, 5990-5996
7156884 CIFC21 H22 N2 O2P 1 21/c 19.6679; 9.2605; 20.717
90; 101.965; 90
1814.5Borra, Satheesh; Borkotoky, Lodsna; Newar, Uma Devi; Kalwar, Anshu; Das, Babulal; Maurya, Ram Awatar
Visible light triggered photo-decomposition of vinyl azides to (E)-stilbene derivatives via 1,2-acyl migration.
Organic & biomolecular chemistry, 2019, 17, 5971-5981
7156885 CIFC74 H74 O4 S4P -18.96; 11.752; 15.156
90.717; 103.972; 92.265
1547.1Hu, Jie-Ying; Sun, Yan-Qiong; Xiao, Ran; Cheng, Shengxian; He, Jun; Zeller, Matthias; Wong, Wai-Yeung; Xu, Zhengtao
Symmetrically backfolded molecules emulating the self-similar features of a Sierpinski triangle.
Organic & biomolecular chemistry, 2019, 17, 6032-6037
7156886 CIFC48 H40 Cl2 N4 O4R -3 :H36.646; 36.646; 17.5414
90; 90; 120
20401Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya
meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.
Organic & biomolecular chemistry, 2019, 17, 6131-6135
7156887 CIFC46 H34 Cl N4P -19.122; 13.972; 14.797
103.575; 94.231; 107.933
1722.3Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya
meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.
Organic & biomolecular chemistry, 2019, 17, 6131-6135
7156888 CIFC16 H21 N O6P 1 21 15.4441; 18.1287; 8.5243
90; 95.698; 90
837.14Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek
Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.
Organic & biomolecular chemistry, 2019, 17, 6251-6268
7156889 CIFC13 H9 F N2P 1 21/c 111.6177; 14.1889; 6.2178
90; 91.299; 90
1024.69Samanta, Surya Kanta; Bera, Mrinal K.
Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.
Organic & biomolecular chemistry, 2019, 17, 6441-6449
7156890 CIFC18 H15 N O4 SP 1 c 111.4012; 24.6145; 21.8613
90; 90.414; 90
6134.9Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo
Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.
Organic & biomolecular chemistry, 2019, 17, 6143-6147
7156891 CIFC9 H8 B F2 N O3P 1 21/n 17.0433; 11.562; 11.6118
90; 90.857; 90
945.5Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156892 CIFC11 H12 B F2 N O3P 1 21/c 113.1705; 12.9185; 7.3648
90; 97.809; 90
1241.45Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156893 CIFC12 H14 B F2 N O3P b c a13.5273; 7.7581; 24.7812
90; 90; 90
2600.7Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156894 CIFC13 H11 B F2 N2 OP -18.8495; 9.1023; 9.2653
62.94; 89.372; 69.175
610.93Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156895 CIFC16 H11 B F2 N2 OP 1 21/c 17.0792; 7.4313; 26.3653
90; 96.772; 90
1377.34Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156896 CIFC26 H32 B2 F4 N2 O6P 18.1582; 9.4094; 9.4305
98.033; 94.918; 94.971
710.6Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156897 CIFC27 H39 B N2P n a 2117.467; 9.736; 14.482
90; 90; 90
2462.8Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.
Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.
Organic & biomolecular chemistry, 2019, 17, 6158-6164
7156898 CIFC27 H38 B Cl N2P 16.2971; 10.739; 18.714
92.24; 91.774; 94.792
1259.4Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.
Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.
Organic & biomolecular chemistry, 2019, 17, 6158-6164
7156899 CIFC27 H38 B F N2P n a 2117.3954; 9.9115; 14.4462
90; 90; 90
2490.7Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.
Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.
Organic & biomolecular chemistry, 2019, 17, 6158-6164
7156900 CIFC19 H19 Br O2P 1 21/c 115.9582; 9.1314; 10.7679
90; 91.0981; 90
1568.82Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.
How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.
Organic & biomolecular chemistry, 2019, 17, 6293-6304
7156901 CIFC19 H19 Br O2P n a 2119.185; 5.7454; 29.323
90; 90; 90
3232.1Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.
How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.
Organic & biomolecular chemistry, 2019, 17, 6293-6304
7156902 CIFC19 H19 Br O2P 1 21 19.6819; 9.8937; 25.25
90; 97.704; 90
2396.9Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.
How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.
Organic & biomolecular chemistry, 2019, 17, 6293-6304
7156903 CIFC25 H27 N3 O3P 1 21/c 18.6931; 24.9324; 9.8261
90; 90.438; 90
2129.65He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.
Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.
Organic & biomolecular chemistry, 2019, 17, 6284-6292
7156904 CIFC28 H33 N3 O3P -19.2977; 9.9446; 13.8192
83.641; 73.868; 74.132
1179.8He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.
Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.
Organic & biomolecular chemistry, 2019, 17, 6284-6292
7156905 CIFC15 H11 N O2 SP 1 21/c 18.9636; 10.3969; 13.4271
90; 94.862; 90
1246.82Le, Thi Thu Huong; Youhei, Chitose; Le, Quy Hien; Nguyen, Thanh Binh; Mac, Dinh Hung
Convenient one-pot access to 2H-3-nitrothiochromenes from 2-bromobenzaldehydes, sodium sulfide and β-nitrostyrenes.
Organic & biomolecular chemistry, 2019, 17, 6355-6358
7156906 CIFC37 H47 N O11 SP 21 21 2110.2529; 11.3156; 39.0323
90; 90; 90
4528.44Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo
Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.
Organic & biomolecular chemistry, 2019, 17, 6351-6354
7156907 CIFC49 H36 B Cl3 F5 NP 1 21/c 18.2594; 24.311; 20.696
90; 97.933; 90
4115.9Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning
Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.
Organic & biomolecular chemistry, 2019, 17, 6470-6477
7156908 CIFC49 H39 B Cl3 F3 N2P -18.5885; 14.6907; 16.3399
93.829; 94.403; 98.387
2027.2Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning
Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.
Organic & biomolecular chemistry, 2019, 17, 6470-6477
7156909 CIFC27 H25 N O5 SP 21 21 218.0766; 9.1009; 33.009
90; 90; 90
2426.3Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui
Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.
Organic & biomolecular chemistry, 2019, 17, 6364-6368
7156910 CIFC15 H17 N O7 SP 1 21/n 17.2163; 12.4415; 17.8306
90; 96.925; 90
1589.18Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156911 CIFC10 H12 N2 O4P 1 21/n 17.8544; 14.026; 9.9668
90; 110.854; 90
1026.07Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156912 CIFC10 H12 N2 O4P -17.6784; 7.8448; 9.1114
91.933; 101.72; 105.491
515.61Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156913 CIFC15 H15 N O6 SP -17.7698; 9.8328; 11.4487
68.144; 73.035; 76.069
767.82Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156914 CIFC20 H22 F2 OP 1 21/c 110.0026; 25.7449; 7.0051
90; 103.519; 90
1753.94Peng, Peng; Huang, Guo-Zhi; Sun, Ying-Xin; Wang, Xing; Wu, Jing-Jing; Wu, Fan-Hong
Copper-mediated cascade radical cyclization of olefins with naphthalenyl iododifluoromethyl ketones.
Organic & biomolecular chemistry, 2019, 17, 6426-6431
7156915 CIFC31 H24 F3 O4 P SP 1 21/n 19.5734; 15.0468; 19.4977
90; 92.992; 90
2804.8Neog, Kashmiri; Dutta, Dhiraj; Das, Babulal; Gogoi, Pranjal
Aryne insertion into the P[double bond, length as m-dash]O bond: one-pot synthesis of quaternary phosphonium triflates.
Organic & biomolecular chemistry, 2019, 17, 6450-6460
7156916 CIFC21 H21 N3 OP 1 21 19.1516; 5.26734; 17.986
90; 94.683; 90
864.11Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua
Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.
Organic & biomolecular chemistry, 2019, 17, 6461-6464
7156917 CIFC25 H22 O3P 1 21/c 116.207; 7.147; 18.155
90; 109.83; 90
1978Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan
Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.
Organic & biomolecular chemistry, 2019, 17, 6620-6628
7156918 CIFC26 H24 O4P b c n11.9937; 11.8843; 30.2028
90; 90; 90
4305Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan
Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.
Organic & biomolecular chemistry, 2019, 17, 6620-6628
7156919 CIFC29 H24 O3P -17.8923; 10.3082; 14.777
102.912; 98.48; 104.031
1110.7Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan
Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.
Organic & biomolecular chemistry, 2019, 17, 6620-6628
7156920 CIFC10 H17 N3 O2P 1 21/n 19.7186; 11.7583; 20.8375
90; 96.0696; 90
2367.84Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
Organic & biomolecular chemistry, 2019, 17, 6566-6569
7156921 CIFC11 H19 N3 O2P c c n11.6022; 22.9041; 9.5733
90; 90; 90
2544Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
Organic & biomolecular chemistry, 2019, 17, 6566-6569
7156922 CIFC29 H33 N O5 SP 1 21/n 110.9129; 13.7709; 18.7714
90; 102.244; 90
2756.8Cheng, Yu-Chun; Wang, Cong-Shuai; Li, Tian-Zhen; Gao, Feng; Jiao, Yinchun; Shi, Feng
Organocatalytic [4 + 2] cyclizations of para-quinone methide derivatives with isocyanates.
Organic & biomolecular chemistry, 2019, 17, 6662-6670
7156923 CIFC16 H15 N OP 1 21/n 111.7435; 7.1127; 15.6205
90; 95.141; 90
1299.5Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Wang, Qingmin
NIS-mediated oxidative arene C(sp<sup>2</sup>)-H amidation toward 3,4-dihydro-2(1H)-quinolinone, phenanthridone, and N-fused spirolactam derivatives.
Organic & biomolecular chemistry, 2019, 17, 6762-6770
7156924 CIFC9 H8 Br N O3P 1 21/c 111.507; 4.843; 17.18
90; 100.591; 90
941.1Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit
The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.
Organic & biomolecular chemistry, 2019, 17, 6809-6820
7156925 CIFC12 H10 I N OP 1 21/c 114.336; 4.975; 16.193
90; 106.346; 90
1108.2Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit
The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.
Organic & biomolecular chemistry, 2019, 17, 6809-6820
7156926 CIFC25 H18 Br N3 O2P 1 21/c 19.925; 13.094; 16.855
90; 105.017; 90
2115.6Balha, Megha; Mondal, Buddhadeb; Pan, Subhas Chandra
Organocatalytic asymmetric synthesis of dihydrofuran-spirooxindoles from benzylidene malononitriles and dioxindoles.
Organic & biomolecular chemistry, 2019, 17, 6557-6561
7156927 CIFC21 H19 N3 O2P 21 21 217.6371; 14.5261; 16.1757
90; 90; 90
1794.49Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian
Predictive chirality sensing via Schiff base formation.
Organic & biomolecular chemistry, 2019, 17, 6699-6705

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