Crystallography Open Database

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7152252 CIFC58 H90 N8 O11P 21 21 2111.312; 19.868; 28.099
90; 90; 90
6315Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan
Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.
Organic & biomolecular chemistry, 2012, 10, 2815-2823
7152253 CIFC20 H26 O5P n a 2119.837; 15.2026; 6.3744
90; 90; 90
1922.35Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
Organic & biomolecular chemistry, 2012, 10, 2470-2481
7152254 CIFC23 H26 O4P 1 21/n 18.9913; 19.6654; 11.4452
90; 103.239; 90
1969.9Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
Organic & biomolecular chemistry, 2012, 10, 2470-2481
7152255 CIFC25 H28 O5P 1 21/c 112.0752; 15.397; 12.4647
90; 104.391; 90
2244.74Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
Organic & biomolecular chemistry, 2012, 10, 2470-2481
7152256 CIFC23 H26 O4P 1 21/c 112.5282; 8.7884; 18.2013
90; 94.582; 90
1997.6Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
Organic & biomolecular chemistry, 2012, 10, 2470-2481
7152257 CIFC37 H39 N3 O6P 1 21/n 110.68181; 11.93226; 25.6913
90; 93.4477; 90
3268.64Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio
Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.
Organic & biomolecular chemistry, 2012, 10, 2413-2421
7152258 CIFC55 H72 N6 O9P 1 21 110.0556; 23.1736; 11.9038
90; 98.01; 90
2746.81Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio
Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.
Organic & biomolecular chemistry, 2012, 10, 2413-2421
7152259 CIFC42 H55 N5 O7P -111.591; 12.462; 15.4573
97.958; 107.43; 91.224
2105.1Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio
Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.
Organic & biomolecular chemistry, 2012, 10, 2413-2421
7152260 CIFC24 H24 N7 O2P 1 21/c 114.584; 10.5609; 15.24
90; 109.665; 90
2210.4Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai
Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.
Organic & biomolecular chemistry, 2012, 10, 2439-2446
7152261 CIFC19 H16 F6 N3 O2 PP 1 21/c 19.4536; 9.3865; 21.293
90; 100.03; 90
1860.6Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.
Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.
Organic & biomolecular chemistry, 2012, 10, 3033-3043
7152262 CIFC11 H19 N O7P 1 21 17.1563; 8.3628; 10.5833
90; 98.637; 90
626.19Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai
Syntheses of (-)-pelletierine and (-)-homopipecolic acid.
Organic & biomolecular chemistry, 2012, 10, 2518-2520
7152263 CIFC16 H14 O3P 1 21/c 111.257; 5.2096; 22.234
90; 104.886; 90
1260.1Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan
Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.
Organic & biomolecular chemistry, 2012, 10, 2742-2752
7152264 CIFC12 H12 O2 SP -17.2317; 8.138; 9.5
108.982; 90.709; 90.925
528.5Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan
Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.
Organic & biomolecular chemistry, 2012, 10, 2742-2752
7152265 CIFC17 H21 N O3 SP 1 21/c 119.0051; 11.4052; 15.91
90; 109.528; 90
3250.23O'Brien, Matthew; Leach, Andrew; Armstrong, Roly J.; Chong, Keting; Sheridan, Ross
Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.
Organic & biomolecular chemistry, 2012, 10, 2392-2394
7152266 CIFC55 H43 Cl2 N2 O2 P SC 2 2 2113.5209; 16.5318; 41.077
90; 90; 90
9181.7Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen
Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.
Organic & biomolecular chemistry, 2012, 10, 2509-2513
7152267 CIFC22 H16 Br2 F2 N2 O2P 1 21 112.249; 5.5446; 16.208
90; 104.895; 90
1063.8Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen
Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.
Organic & biomolecular chemistry, 2012, 10, 2509-2513
7152268 CIFC90 H88 Cl6 N16 O11P 1 21/c 110.0579; 40.788; 10.7646
90; 101.688; 90
4324.5Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.
Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.
Organic & biomolecular chemistry, 2012, 10, 2824-2829
7152269 CIFC26 H37.5 Br2 N4 O4C 1 2/m 117.58; 39.483; 11.7189
90; 130.147; 90
6217.7Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.
Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.
Organic & biomolecular chemistry, 2012, 10, 2824-2829
7152270 CIFC14 H10 N2 OP 1 21/n 13.7806; 24.0853; 11.7506
90; 97.413; 90
1061.03Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152271 CIFC21 H16 N2 OP 1 21/c 17.0872; 17.7874; 25.4096
90; 91.485; 90
3202.13Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152272 CIFC17 H22 N2 OC 1 2/m 118.4597; 7.1537; 11.0986
90; 98.355; 90
1450.1Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152273 CIFC20 H19 Br N2 OP 1 21/n 19.2174; 19.7268; 10.0151
90; 110.322; 90
1707.69Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152274 CIFC14 H8 Cl N OP 1 21/c 111.4766; 3.8102; 25.7302
90; 94.941; 90
1120.95Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152275 CIFC22 H19 N2 O1.5P 1 21/c 18.6083; 26.5181; 7.4938
90; 98.838; 90
1690.3Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152276 CIFC27 H24 Cl N3 O2P -19.987; 10.6502; 11.9022
94.557; 114.488; 93.883
1141.35Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter
Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.
Organic & biomolecular chemistry, 2012, 10, 2955-2959
7152277 CIFC14 H22 O3P 21 21 218.0156; 8.4956; 19.4087
90; 90; 90
1321.68Schäfer, Christian; Miesch, Michel; Miesch, Laurence
Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.
Organic & biomolecular chemistry, 2012, 10, 3253-3257
7152278 CIFC13 H18 O2P 21 21 218.3229; 11.3609; 11.8761
90; 90; 90
1122.95Schäfer, Christian; Miesch, Michel; Miesch, Laurence
Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.
Organic & biomolecular chemistry, 2012, 10, 3253-3257
7152279 CIFC15 H24 O3P 21 21 217.2735; 9.0784; 21.1524
90; 90; 90
1396.73Schäfer, Christian; Miesch, Michel; Miesch, Laurence
Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.
Organic & biomolecular chemistry, 2012, 10, 3253-3257
7152280 CIFC51 H50 B2 Cl3 F4 N7 O4P -18.553; 13.788; 20.858
88.838; 86.545; 73.382
2352.7Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu
Solid-state supramolecular assemblies consisting of planar charged species.
Organic & biomolecular chemistry, 2012, 10, 2603-2606
7152281 CIFC45 H49 B Cl F6 N5 O2P -18.341; 12.445; 20.303
79.279; 85.683; 80.571
2040.6Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu
Solid-state supramolecular assemblies consisting of planar charged species.
Organic & biomolecular chemistry, 2012, 10, 2603-2606
7152282 CIFC48 H57 B Cl3 F2 N5 O2P -111.092; 11.957; 19.33
77.243; 82.685; 63.623
2238.8Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu
Solid-state supramolecular assemblies consisting of planar charged species.
Organic & biomolecular chemistry, 2012, 10, 2603-2606
7152283 CIFC90 H100 B2 Cl N7 O4P -115.754; 17.148; 17.17
116.501; 108.051; 91.068
3879Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu
Solid-state supramolecular assemblies consisting of planar charged species.
Organic & biomolecular chemistry, 2012, 10, 2603-2606
7152284 CIFC20 H22 N2P -15.7575; 10.4335; 14.3548
74.944; 84.193; 77.533
812.14Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W; De Kimpe, Norbert
Radical-mediated nitrile translocation as the key step in the stereoselective transformation of 2-(4-chloro-2-cyanobutyl)aziridines to methyl cis-(1-arylmethyl-4-phenylpiperidin-2-yl)acetates.
Organic & biomolecular chemistry, 2012, 10, 3308-3314
7152285 CIFC33 H38 N6 O11 Zn2P -19.5044; 11.9561; 17.0346
103.13; 91.678; 105.355
1809.58Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad
A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.
Organic & biomolecular chemistry, 2012, 10, 2380-2384
7152286 CIFC29 H26 Br2 N2 O9P 21 21 216.64749; 13.2825; 33.3205
90; 90; 90
2942.04Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo
Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.
Organic & biomolecular chemistry, 2012, 10, 2993-3001
7152287 CIFC22 H22 O6C 1 2/c 124.115; 10.4602; 15.5022
90; 95.746; 90
3890.7Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong
Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.
Organic & biomolecular chemistry, 2012, 10, 2960-2965
7152288 CIFC36 H39 N5 O4P -19.225; 12.144; 14.886
74.73; 78.29; 83.99
1573Bag, Bamaprasad; Biswal, Biswonath
Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.
Organic & biomolecular chemistry, 2012, 10, 2733-2738
7152289 CIFC105 H152 F18 N8 O43 Pd4 S6 Sm2P 21 21 2113.4805; 20.3239; 24.982
90; 90; 90
6844.5Zhang, Guoqi
A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.
Organic & biomolecular chemistry, 2012, 10, 2534-2536
7152290 CIFC13 H14 F2 O3P 1 21/c 112.556; 14.418; 13.45
90; 101.806; 90
2383.4Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152291 CIFC13 H16 F2 O3P 1 21/c 110.052; 7.8441; 17.153
90; 106.959; 90
1293.7Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152292 CIFC14 H18 F2 O3P b c a7.046; 16.235; 24.642
90; 90; 90
2819Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152293 CIFC15 H20 F2 O3P 1 21/c 17.953; 20.19; 9.179
90; 93.291; 90
1471.5Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152294 CIFC18 H19 F2 N O2P 21 21 218.402; 9.71; 19.088
90; 90; 90
1557.3Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152295 CIFC19 H21 F2 N O2P 21 21 218.8405; 9.7476; 19.684
90; 90; 90
1696.2Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152296 CIFC20 H21 F2 N O2P 21 21 218.5802; 9.972; 19.406
90; 90; 90
1660.4Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.
Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.
Organic & biomolecular chemistry, 2012, 10, 3332-3342
7152297 CIFC37 H30 Br N O3P -110.9353; 12.0352; 12.4875
73.716; 67.727; 83.617
1459.8Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru
Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.
Organic & biomolecular chemistry, 2012, 10, 2934-2936
7152298 CIFC36 H41 N3 O4 S2P 1 21/c 110.8355; 12.6814; 24.4115
90; 94.018; 90
3346.1Namitharan, Kayambu; Pitchumani, Kasi
Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.
Organic & biomolecular chemistry, 2012, 10, 2937-2941
7152299 CIFC20 H18 O5P 21 21 217.298; 13.566; 17.045
90; 90; 90
1687.5Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio
Microwave-assisted C-3 selective oxidative radical alkylation of flavones.
Organic & biomolecular chemistry, 2012, 10, 2946-2949
7152300 CIFC22 H24 Br N O6P 1 21 18.107; 12.105; 11.6138
90; 101.055; 90
1118.6Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang
Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.
Organic & biomolecular chemistry, 2012, 10, 3195-3201
7152301 CIFC17 H13 N O3P -17.366; 9.0252; 10.1518
84.572; 88.905; 89.911
671.74Zhou, Feng; Ding, Miao; Zhou, Jian
A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.
Organic & biomolecular chemistry, 2012, 10, 3178-3181

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