Crystallography Open Database

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7152502 CIFC38 H26 B2 N3P 1 21/c 119.7442; 8.9337; 16.7141
90; 103.467; 90
2867.1Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152503 CIFC17 H35 B Li N3 OP n a 2110.166; 13.303; 15.011
90; 90; 90
2030.1Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152504 CIFC21 H39 B Li N3 OP 1 21/n 19.537; 19.523; 11.571
90; 91.102; 90
2154Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152505 CIFC23 H39 B Li N O3P -19.1997; 10.062; 13.7746
75.513; 85.615; 66.257
1129.62Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152506 CIFC17 H21 B N2P 21 21 217.4473; 9.7852; 20.4386
90; 90; 90
1489.43Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152507 CIFC28 H36 B2 N4P 1 21/c 110.285; 24.538; 10.285
90; 93.67; 90
2590.3Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152508 CIFC28 H36 B2 N4P b c a6.7145; 15.9589; 23.1949
90; 90; 90
2485.5Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152509 CIFC23 H26 B N OP 21 21 218.6575; 14.9677; 14.9962
90; 90; 90
1943.3Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152510 CIFC18 H23 B Cl N OP 1 21/n 18.2474; 18.4202; 11.0654
90; 97.891; 90
1665.1Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152511 CIFC17 H21 B Cl N OC 1 c 113.0246; 7.6223; 16.3135
90; 91.507; 90
1619Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152512 CIFC17 H21 B N2 O3P 1 21/n 19.2247; 16.045; 10.9529
90; 93.999; 90
1617.2Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152513 CIFC18 H21 B F3 N OP -18.3937; 10.2137; 11.238
108.665; 102.699; 100.782
855.21Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152514 CIFC14 H22 B N OP 1 21/n 18.2346; 8.449; 20.337
90; 99.733; 90
1394.6Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152515 CIFC16 H22 B N OP 1 21/c 18.4677; 11.4989; 14.424
90; 101.503; 90
1376.24Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152516 CIFC21 H21 B Cl2 N2P 1 21/n 110.5949; 7.6737; 24.2686
90; 100.587; 90
1939.5Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152517 CIFC25 H21 B N2P 1 21/c 117.8677; 20.0262; 10.9651
90; 102.768; 90
3826.5Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152518 CIFC25 H21 B Cl N OP -18.4273; 10.2028; 12.7409
95.769; 105.923; 104.904
1000.62Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152519 CIFC20 H18 B N OP -18.4944; 9.8689; 10.9392
63.499; 87.637; 81.64
811.67Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152520 CIFC60 H74 N6 O14C 1 2 138.885; 7.5009; 24.1696
90; 123.084; 90
5906.7Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz
4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.
Organic & biomolecular chemistry, 2012, 10, 6705-6716
7152521 CIFC65 H86 Cl6 O9 Se6P -114.9433; 16.7585; 17.4804
109.705; 98.331; 112.991
3595.46Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
Organic & biomolecular chemistry, 2012, 10, 6526-6536
7152522 CIFC60 H88 O6 Se4I 41/a :228.31; 28.31; 14.618
90; 90; 90
11716Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
Organic & biomolecular chemistry, 2012, 10, 6526-6536
7152523 CIFC53 H72 Ag F3 O7 S Se4P 1 21/c 113.801; 27.671; 31.568
90; 93.689; 90
12030Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
Organic & biomolecular chemistry, 2012, 10, 6526-6536
7152524 CIFC52 H72 Ag F6 O4 P Se4P -4 n 213.994; 13.994; 14.223
90; 90; 90
2785.3Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
Organic & biomolecular chemistry, 2012, 10, 6526-6536
7152525 CIFC64 H90 Cl6 O8 Se4P 1 21/n 110.8677; 12.6155; 26.392
90; 95.784; 90
3600Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
Organic & biomolecular chemistry, 2012, 10, 6526-6536
7152526 CIFC20 H22 O4P 1 21/c 112.8286; 12.1802; 11.4263
90; 111.313; 90
1663.31Subba Reddy, B. V.; Jalal, Sayed; Borkar, Prashant; Yadav, J. S.; Reddy, P. P.; Kunwar, A. C.; Sridhar, B.
The stereoselective synthesis of cis-/trans-fused hexahydropyrano[4,3-b]chromenes via Prins cyclization trapping by a tethered nucleophile.
Organic & biomolecular chemistry, 2012, 10, 6562-6568
7152527 CIFC21 H21 N3 O2P -111.086; 12.727; 13.649
73.23; 84.08; 83.37
1826.6Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng
Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.
Organic & biomolecular chemistry, 2012, 10, 6266-6270
7152528 CIFC15 H18 Br N3 O2P 21 21 218.8707; 10.082; 18.499
90; 90; 90
1654.4Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng
Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.
Organic & biomolecular chemistry, 2012, 10, 6266-6270
7152529 CIFC17 H19 N3 O2P 1 21/n 111.082; 8.7; 16.612
90; 100.67; 90
1573.9Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng
Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.
Organic & biomolecular chemistry, 2012, 10, 6266-6270
7152530 CIFC32 H22 N2 O2P 1 21/c 19.869; 14.785; 16.173
90; 95.51; 90
2348.9Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong
Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.
Organic & biomolecular chemistry, 2012, 10, 6693-6704
7152531 CIFC25 H27 NP 1 21/n 18.942; 10.249; 21.626
90; 96.87; 90
1967.7Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong
Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.
Organic & biomolecular chemistry, 2012, 10, 6693-6704
7152532 CIFC14 H15 NP 1 21/c 111.973; 7.802; 12.534
90; 102.95; 90
1141.1Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong
Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.
Organic & biomolecular chemistry, 2012, 10, 6693-6704
7152533 CIFC19 H19 N O4P -18.9397; 11.7671; 17.0494
96.72; 97.088; 103.4
1711.5Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong
Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.
Organic & biomolecular chemistry, 2012, 10, 6554-6561
7152534 CIFC20 H20 Cl N O5P 439.0853; 9.0853; 23.592
90; 90; 90
1947.3Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong
Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.
Organic & biomolecular chemistry, 2012, 10, 6554-6561
7152535 CIFC18 H15 N O5C 1 c 112.4785; 13.3392; 10.0137
90; 103.019; 90
1623.97Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong
Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.
Organic & biomolecular chemistry, 2012, 10, 6554-6561
7152536 CIFC18 H16 Br N O SP 1 21/c 112.0158; 9.3261; 14.7056
90; 98.3; 90
1630.66Bertolasi, Valerio; Bortolini, Olga; Donvito, Adelaide; Fantin, Giancarlo; Fogagnolo, Marco; Giovannini, Pier Paolo; Massi, Alessandro; Pacifico, Salvatore
Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones.
Organic & biomolecular chemistry, 2012, 10, 6579-6586
7152537 CIFC20 H16 N2 SC 1 2/c 126.031; 5.2668; 25.435
90; 114.261; 90
3179.2Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung
Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.
Organic & biomolecular chemistry, 2012, 10, 6640-6648
7152538 CIFC27 H22 N2 O2P 1 21 111.123; 7.632; 12.7
90; 90.39; 90
1078.1Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung
Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.
Organic & biomolecular chemistry, 2012, 10, 6640-6648
7152539 CIFC29 H26 N4 O3P 1 21/n 117.055; 7.5478; 19.591
90; 100.937; 90
2476.1Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
Organic & biomolecular chemistry, 2012, 10, 6649-6655
7152540 CIFC27 H24 F3 N3 O5P 1 21/c 110.988; 7.353; 29.7
90; 95.027; 90
2390Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
Organic & biomolecular chemistry, 2012, 10, 6649-6655
7152541 CIFC34 H40 F3 N3 O6 SiP -110.8328; 12.7806; 13.3203
72.909; 79.316; 71.622
1664.08Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
Organic & biomolecular chemistry, 2012, 10, 6649-6655
7152542 CIFC26 H25 N3 O5P -18.0807; 11.5619; 12.786
79.423; 86.322; 82.872
1164.15Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
Organic & biomolecular chemistry, 2012, 10, 6649-6655
7152543 CIFC22 H19 N3 O2P 1 21/n 113.9615; 6.7669; 19.4128
90; 100.967; 90
1800.55Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
Organic & biomolecular chemistry, 2012, 10, 6649-6655
7152544 CIFC66 H78 N6 O19P -18.0564; 14.5528; 15.2944
61.687; 87.605; 88.859
1577.27Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.
2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.
Organic & biomolecular chemistry, 2012, 10, 6469-6472
7152545 CIFC21 H26 N2 O5P 1 21/c 19.0441; 13.9383; 17.5956
90; 99.421; 90
2188.2Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.
2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.
Organic & biomolecular chemistry, 2012, 10, 6469-6472
7152546 CIFC18 H25 N O2P 1 21/a 17.938; 23.823; 9.277
90; 104.96; 90
1694.9Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan
Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.
Organic & biomolecular chemistry, 2012, 10, 6866-6875
7152547 CIFC22 H20 Br N OP 21 21 215.7061; 17.048; 18.4614
90; 90; 90
1795.9Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming
Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.
Organic & biomolecular chemistry, 2012, 10, 7208-7219
7152548 CIFC17 H16 Br N OP 1 21 18.4384; 5.3564; 16.3563
90; 93.619; 90
737.82Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming
Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.
Organic & biomolecular chemistry, 2012, 10, 7208-7219
7152549 CIFC33 H32 N2 O10 S2P -111.135; 11.251; 14.491
106.087; 90.501; 114.229
1575.1Medina, Sandra; González-Gómez, Alvaro; Domínguez, Gema; Pérez-Castells, Javier
Medium-sized and strained heterocycles from non-catalysed and gold-catalysed conversions of β-carbolines.
Organic & biomolecular chemistry, 2012, 10, 7167-7176
7152550 CIFC31 H31 Br O2 SnP -110.39; 17.643; 8.429
92.81; 113.88; 90.83
1410.2Hobson, Lindsay A.; Thomas, Eric J.
Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.
Organic & biomolecular chemistry, 2012, 10, 7510-7526
7152551 CIFC43 H66 O6 Si3P 1 21 110.7933; 16.163; 13.5195
90; 94.48; 90
2351.3Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto
Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.
Organic & biomolecular chemistry, 2012, 10, 6937-6944

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