Crystallography Open Database
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Searching year of publication is 2016
COD ID ![]() |
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Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
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1542444 | CIF | C18 H12 N2 O2 | P b c a | 16.336; 7.549; 21.555 90; 90; 90 | 2658 | Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols. Organic letters, 2016, 18, 1064 |
1542445 | CIF | C28 H37.68 N O4.34 | P 21 21 21 | 8.823; 9.7832; 28.016 90; 90; 90 | 2418.3 | Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2. Organic letters, 2016, 18, 1108 |
1542446 | CIF | C31 H43 N O7 | P 1 21 1 | 9.7486; 14.4556; 10.3782 90; 102.099; 90 | 1430.03 | Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2. Organic letters, 2016, 18, 1108 |
1542447 | CIF | C49 H60 Cl N7 O6 S3 | P 1 21/c 1 | 12.9375; 11.6146; 32.205 90; 94.227; 90 | 4826.1 | Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A. Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis Chem. Sci., 2016, 7, 3317 |
1542448 | CIF | C34 H34 Br Dy N13 O6.5 | P -1 | 10.5922; 12.3446; 15.3053 107.337; 90.559; 90.554 | 1910.1 | Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci., 2016, 7, 3632 |
1542449 | CIF | C32 H30 Dy N13 O9 | C 1 2/c 1 | 30.25; 17.599; 20.537 90; 129.531; 90 | 8433 | Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci., 2016, 7, 3632 |
1542450 | CIF | C33 H34 Dy F3 N12 O11 S | C 1 2/c 1 | 20.791; 18.7611; 13.6144 90; 129.032; 90 | 4125.1 | Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci., 2016, 7, 3632 |
1542452 | CIF HKL Paper | C16 H21 F N2 O3 S | P 1 21/c 1 | 11.5613; 16.4245; 8.873 90; 107.768; 90 | 1604.5 | Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide IUCrData, 2016, 1, x160013 |
1542453 | CIF HKL | C12 H11 N S | F d d 2 | 17.743; 37.3075; 6.142 90; 90; 90 | 4065.7 | Mdluli, Velabo; Golen, James A.; Manke, David R. 2-(Phenylsulfanyl)aniline IUCrData, 2016, 1, x152489 |
1542454 | CIF HKL Paper | C6 H6 Br N | P 1 21/m 1 | 6.1889; 6.614; 7.835 90; 93.503; 90 | 320.11 | Roy, Mrittika; Golen, James A.; Manke, David R. 2-Bromo-5-methylpyridine IUCrData, 2016, 1, x160090 |
1542455 | CIF HKL Paper | C10 H10 N4 O | P b c a | 10.2208; 10.8693; 18.1059 90; 90; 90 | 2011.44 | Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. 1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde IUCrData, 2016, 1, x160038 |
1542456 | CIF HKL Paper | C35 H32 Au2 Fe O P2 S | P 1 21/n 1 | 13.7434; 12.6277; 18.763 90; 98.352; 90 | 3221.7 | Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate IUCrData, 2016, 1, x152492 |
1542457 | CIF HKL Paper | C52 H36 Cd N10 O4 | P -1 | 9.2984; 9.3261; 12.5747 107.16; 103.719; 96.55 | 992.1 | Guo, Lei-Qun; Jiang, Yin-Hua Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II) IUCrData, 2016, 1, x160063 |
1542458 | CIF HKL Paper | C34 H40 B N3 O2 | P 1 21/c 1 | 14.3033; 10.3598; 20.2825 90; 105.468; 90 | 2896.6 | Tiritiris, Ioannis; Kantlehner, Willi 2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate IUCrData, 2016, 1, x160109 |
1542459 | CIF HKL | C17 H19 Co | P 1 21/n 1 | 8.0307; 14.4939; 22.2528 90; 98.814; 90 | 2559.55 | Jungk, Phillip; Spannenberg, Anke; Hapke, Marko Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I) IUCrData, 2016, 1, x160027 |
1542460 | CIF HKL | C8 H12 N4 O2 | P 1 21/c 1 | 10.5015; 23.561; 7.7533 90; 96.604; 90 | 1905.6 | Beliaev, Nikolai; Slepukhin, Pavel Crystal structure of dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine IUCrData, 2016, 1, x152488 |
1542461 | CIF HKL Paper | C23 H30 Cl N O4 | P -1 | 9.205; 9.688; 12.943 104.871; 91.465; 100.983 | 1091.8 | Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S. Tramadolium 2-chlorobenzoate IUCrData, 2016, 1, x160014 |
1542462 | CIF HKL Paper | C11 H13 Cl O | P 1 21/c 1 | 5.2434; 25.902; 7.7027 90; 104.756; 90 | 1011.64 | Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin 5-Chloro-1-phenylpentan-1-one IUCrData, 2016, 1, x160055 |
1542463 | CIF HKL Paper | C48 H40 Mo4 O16 P4 | P b c n | 16.1061; 19.891; 15.254 90; 90; 90 | 4886.9 | Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V) IUCrData, 2016, 1, x160036 |
1542464 | CIF HKL Paper | C23 H25 Cd N3 S4 | P 1 21/n 1 | 8.9361; 14.832; 18.968 90; 101.613; 90 | 2462.6 | Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T. Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II) IUCrData, 2016, 1, x152429 |
1542465 | CIF HKL | C18 H17 Cl N2 O | P -1 | 11.0767; 12.067; 12.16 90.825; 102.561; 95.142 | 1579.1 | Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Brighten Antony, Moonnanjilikkal; Ali Khan, Musthakeem 1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one IUCrData, 2016, 1, x152460 |
1542466 | CIF Paper | C20 H19 N O3 Pt | P 1 21/c 1 | 13.225; 15.0844; 8.4294 90; 93.951; 90 | 1677.59 | Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc {4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II) IUCrData, 2016, 1, x152428 |
1542467 | CIF HKL Paper | C10 H15 N O4 | P 1 21/c 1 | 7.328; 17.0138; 8.9223 90; 107.818; 90 | 1059.05 | Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T. 3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate IUCrData, 2016, 1, x152453 |
1542468 | CIF HKL Paper | C24 H30 N4 O4 | P 1 21/n 1 | 8.1476; 17.6289; 8.8692 90; 114.835; 90 | 1156.1 | Alshawi, Jasim; Yousif, Muoayed; Timco, Grigore; Zangana, Karzan H.; Winpenny, Richard; Al-Jeboori, Mohamad J. Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate IUCrData, 2016, 1, x160046 |
1542469 | CIF HKL Paper | C40 H52 Li2 N2 O4 S2 | P -1 | 9.654; 9.9211; 11.2854 73.537; 88.138; 72.42 | 986.5 | Mdluli, Velabo; Golen, James A.; Manke, David R. Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium] IUCrData, 2016, 1, x160130 |
1542470 | CIF Paper | C12 H13 Cl Fe O | P 1 21/n 1 | 6.0366; 7.6215; 23.0837 90; 91.737; 90 | 1061.55 | McAdam, C. John; Simpson, Jim 2-Chloro-1-ferrocenylethanol IUCrData, 2016, 1, x160102 |
1542471 | CIF HKL Paper | C18 H26 N2 O2 | P -1 | 8.1839; 9.1461; 11.7669 106.557; 97.687; 96.63 | 825.65 | Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim 3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one) IUCrData, 2016, 1, x152175 |
1542472 | CIF HKL | C16 H20 N2 O8 | P -1 | 5.4194; 9.0619; 9.4607 81.285; 82.771; 77.208 | 445.8 | Wang, Yi; Stoeckli-Evans, Helen Tetraethyl pyrazine-2,3,5,6-tetracarboxylate IUCrData, 2016, 1, x152174 |
1542473 | CIF HKL | C10 H14 N8 O6.5 | C 1 2/c 1 | 21.494; 6.43; 19.193 90; 99.98; 90 | 2612.5 | Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate IUCrData, 2016, 1, x160048 |
1542474 | CIF HKL Paper | C10 H24 N6 O6 S | P 1 21/c 1 | 9.7194; 9.4737; 17.9416 90; 105.386; 90 | 1592.83 | Tiritiris, Ioannis; Kantlehner, Willi Morpholine-4-carboxamidinium sulfate IUCrData, 2016, 1, x160069 |
1542475 | CIF HKL Paper | C26 H45 Br2 N6 O1.5 | P 1 21/c 1 | 12.1957; 7.9654; 30.4821 90; 97.934; 90 | 2932.8 | Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate IUCrData, 2016, 1, x160047 |
1542476 | CIF HKL Paper | C16 H19 Cl2 N O2 Pt | P 1 21/n 1 | 15.1282; 7.25666; 16.3038 90; 108.013; 90 | 1702.11 | Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc <i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II) IUCrData, 2016, 1, x152176 |
1542477 | CIF HKL Paper | C13 H15 Cl4 N3 | P -1 | 7.0474; 9.7775; 12.8695 71.744; 89.177; 72.582 | 800.44 | Klass, Michaela; Näther, Christian; Tuczek, Felix 6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate IUCrData, 2016, 1, x152467 |
1542478 | CIF HKL Paper | Ba5.78 Cl2 F12 Pb1.22 | P -6 | 10.5878; 10.5878; 4.1528 90; 90; 120 | 403.17 | Weil, Matthias The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~ IUCrData, 2016, 1, x152427 |
1542479 | CIF HKL Paper | C17 H19 N O3 | P 1 21/c 1 | 13.669; 10.817; 10.9271 90; 109.365; 90 | 1524.25 | Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig <i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate IUCrData, 2016, 1, x152490 |
1542480 | CIF HKL Paper | C15 H13 N2 P | P 1 21/n 1 | 10.2774; 7.4256; 17.4094 90; 92.472; 90 | 1327.38 | Duan, Lian; Ma, Fengle; Zheng, Wenjun 1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole IUCrData, 2016, 1, x160083 |
1542481 | CIF HKL Paper | C14 H15 Br I N O2 | P -1 | 7.3066; 7.9672; 12.8467 72.994; 86.5; 87.152 | 713.42 | Barnes, Paul; Storey, John M. D.; Harrison, William T. A. Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate IUCrData, 2016, 1, x152178 |
1542482 | CIF HKL | C18 H12 Na2 O6 S2 | P 1 21/c 1 | 17.662; 8.2854; 5.9719 90; 91.38; 90 | 873.7 | Albat, Martin; Stock, Norbert Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~] IUCrData, 2016, 1, x160039 |
1542483 | CIF HKL Paper | C10 H10 Cl2 N4 O | P 1 21/c 1 | 12.1802; 7.3646; 13.9001 90; 112.276; 90 | 1153.82 | Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. [1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol IUCrData, 2016, 1, x152447 |
1542484 | CIF HKL | C14 H28 N2 O8 S2 | P 1 | 5.0283; 5.058; 20.8394 86.645; 83.338; 68.908 | 491.08 | Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P. <small>L</small>-Methionine‒succinic acid (2/1) IUCrData, 2016, 1, x152459 |
1542485 | CIF HKL Paper | C36 H40 S4 | C 1 2/c 1 | 11.2972; 13.0708; 21.3833 90; 98.4; 90 | 3123.7 | Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane IUCrData, 2016, 1, x152426 |
1542486 | CIF Paper | C21 H22 Br N O4 | C 1 c 1 | 16.0067; 8.9455; 16.1617 90; 128.853; 90 | 1802.17 | Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim 9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione IUCrData, 2016, 1, x152425 |
1542487 | CIF HKL Paper | C15 H16 Br N O2 S2 | P 1 21/n 1 | 7.8958; 8.0536; 25.2735 90; 97.909; 90 | 1591.84 | Vinduvahini, M.; Anitha, B. R.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C. (6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate IUCrData, 2016, 1, x160015 |
1542488 | CIF HKL Paper | C6 H16 Cl2 N2 O2 S2 Zn | P -1 | 6.907; 10.32; 10.707 68.331; 81.936; 71.917 | 673.9 | Kuwamura, Naoto; Laskar, Payel; Konno, Takumi (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II) IUCrData, 2016, 1, x160105 |
1542489 | CIF HKL Paper | C14 H13 N O2 S2 | P -1 | 6.9841; 8.3241; 13.116 89.276; 75.614; 72.095 | 701.2 | El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen (<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one IUCrData, 2016, 1, x160052 |
1542490 | CIF HKL Paper | C24 H24 Cl N O4 | P -1 | 7.621; 10.753; 13.138 92.102; 93.806; 91.275 | 1073.2 | Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData, 2016, 1, x160155 |
1542491 | CIF HKL Paper | C12 H11 Cl Fe O | P 1 21 1 | 7.4235; 9.6339; 7.5209 90; 99.728; 90 | 530.14 | McAdam, C. John; Simpson, Jim 2-Chloro-1-ferrocenylethanone IUCrData, 2016, 1, x152177 |
1542492 | CIF HKL Paper | C25 H20 O12 | P b c a | 20.944; 9.316; 24.309 90; 90; 90 | 4743 | Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji 3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one IUCrData, 2016, 1, x160028 |
1542493 | CIF HKL Paper | C50 H68 N2 O4 S4 | P 1 21/c 1 | 20.7072; 20.4462; 12.8292 90; 107.294; 90 | 5186.1 | Omran, Omran A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Mohamed, Alaa F. <i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt IUCrData, 2016, 1, x160115 |
1542494 | CIF HKL Paper | C27 H44 N4 P2 Ru | P -1 | 10.922; 11.661; 13.641 86.619; 79.75; 62.441 | 1515.1 | Ren, Lili; Zheng, Wenjun (η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium IUCrData, 2016, 1, x160110 |
1542495 | CIF HKL Paper | C8 H5 Br N O2.5 | C 1 2/c 1 | 7.4556; 12.9055; 16.334 90; 95.063; 90 | 1565.5 | Turbitt, John R.; Golen, James A.; Manke, David R. 6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate IUCrData, 2016, 1, x152434 |
1542496 | CIF HKL Paper | C12 H16 N2 O2 S | P 21 21 21 | 7.351; 12.452; 13.423 90; 90; 90 | 1228.7 | Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T. 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea IUCrData, 2016, 1, x152457 |
1542497 | CIF HKL Paper | C20 H24 O4 S2 | P 1 21/n 1 | 12.1691; 13.1263; 12.275 90; 99.818; 90 | 1932 | Moriguchi, Tetsuji; Miyamoto, Daisuke; Jalli, Ventakaprasad; Yoza, Kenji; Tsuge, Akihiko <i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate IUCrData, 2016, 1, x160082 |
1542498 | CIF | C24 H33 N O Si | P 1 21/c 1 | 7.1879; 34.402; 17.855 90; 91.042; 90 | 4414.4 | Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T. Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones. Organic letters, 2016, 18, 1056 |
1542499 | CIF | C21 H27 Br N O Si | P -1 | 8.162; 11.461; 12.471 82.763; 71.881; 79.447 | 1087 | Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T. Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones. Organic letters, 2016, 18, 1056 |
1542500 | CIF | C16 H14 Br N | C 1 2/c 1 | 16.1198; 12.3819; 15.1359 90; 116.573; 90 | 2701.9 | Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide. Organic letters, 2016, 18, 1154 |
1542501 | CIF | C17 H20 Br N O | P 21 21 21 | 7.4548; 10.863; 19.6508 90; 90; 90 | 1591.35 | Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide. Organic letters, 2016, 18, 1154 |
1542502 | CIF HKL | C11 H10 O3 | P 1 21/c 1 | 12.209; 20.3796; 7.4335 90; 95.98; 90 | 1839.5 | Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha 2-(5-Methyl-1-benzofuran-3-yl)acetic acid IUCrData, 2016, 1, x160170 |
1542503 | CIF HKL Paper | C18 H20 N2 O5 | P 1 21/c 1 | 22.135; 8.468; 8.6198 90; 93.287; 90 | 1613 | Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko 2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUCrData, 2016, 1, x160167 |
1542504 | CIF HKL | C11 H10 N2 O3 | P 21 21 21 | 5.1565; 12.4881; 15.1083 90; 90; 90 | 972.9 | Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner 1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one IUCrData, 2016, 1, x160125 |
1542505 | CIF HKL Paper | C26 H30 O8 | P 21 21 21 | 8.877; 14.533; 17.748 90; 90; 90 | 2289.7 | Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon) IUCrData, 2016, 1, x160172 |
1542506 | CIF HKL Paper | C18 H21 N O2 S2 | P 1 21/c 1 | 11.6767; 16.2058; 9.1417 90; 99.486; 90 | 1706.23 | Ravi, A. J.; Kumar, K. Mahesh; Devarajegowda, H. C. (7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate IUCrData, 2016, 1, x160171 |
1542507 | CIF HKL | C11 H12 Br N3 O | P 1 21/c 1 | 5.4965; 11.9528; 17.7702 90; 95.354; 90 | 1162.38 | Jiang, Xian-Wu; Zhang, Heng-Qiang; Sun, Zhuo-Dong; Shan, Yong-Kui 6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate IUCrData, 2016, 1, x160180 |
1542508 | CIF HKL Paper | C13 H19 Cl3 N2 | P 1 21/c 1 | 10.9608; 9.5199; 14.0262 90; 95.398; 90 | 1457.1 | Bhat, Muzzaffar Ahmad; Srivastava, Sanjay K.; Sharma, Pooja; Chopra, Ambika; Butcher, Ray J. 4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride redetermined at 100K IUCrData, 2016, 1, x160168 |
1542509 | CIF HKL Paper | C17 H19 N O3 S2 | P -1 | 6.9573; 7.9838; 15.6037 75.485; 87.122; 75.763 | 813.22 | Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C. (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate IUCrData, 2016, 1, x160169 |
1542510 | CIF HKL Paper | C62 H74 B2 N4 O | P -1 | 14.1885; 17.5801; 22.2543 72.911; 86.243; 80.123 | 5226.6 | Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate IUCrData, 2016, 1, x160231 |
1542511 | CIF HKL Paper | C19 H19 Fe N O | P -1 | 7.344; 14.831; 15.267 79.094; 79.627; 87.508 | 1606.1 | Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide IUCrData, 2016, 1, x160203 |
1542512 | CIF HKL Paper | C8 H4 I N O2 | P 1 21/c 1 | 7.6138; 13.9658; 7.3866 90; 91.249; 90 | 785.25 | Golen, James A.; Manke, David R. 4-Iodo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160215 |
1542513 | CIF HKL Paper | C12 H14 Ag N3 O3 S | P 1 21/n 1 | 11.1568; 9.7852; 12.5715 90; 107.055; 90 | 1312.09 | Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig <i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^] IUCrData, 2016, 1, x160245 |
1542514 | CIF HKL Paper | C23 H33 N O | P 1 21 1 | 6.588; 16.582; 19.448 90; 95.051; 90 | 2116.3 | Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng 2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol IUCrData, 2016, 1, x160205 |
1542515 | CIF HKL Paper | C38 H30 N4 O12 Pt S2 | P 1 21/n 1 | 6.9957; 12.0819; 20.904 90; 97.296; 90 | 1752.5 | Liu, Jing; Zhu, Long-Guan Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate IUCrData, 2016, 1, x160211 |
1542516 | CIF HKL | C18 H20 N2 O3 S2 | P 1 21/c 1 | 6.24258; 11.4063; 26.2386 90; 90.1171; 90 | 1868.31 | Islam, M. A. A. A. A.; Sheikh, M. C.; Mahmud, A. A.; Miyatake, R.; Zangrando, E. Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate IUCrData, 2016, 1, x160190 |
1542517 | CIF HKL Paper | C8 H4 F N O2 | P 21 21 21 | 4.988; 5.5522; 24.2578 90; 90; 90 | 671.8 | Golen, James A.; Manke, David R. 6-Fluoro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160165 |
1542518 | CIF HKL Paper | C60 H64 B2 N4 | P 1 21/n 1 | 13.8527; 10.4892; 16.7462 90; 103.034; 90 | 2370.6 | Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethyl(but-2-yne)bisamidinium bis(tetraphenylborate) IUCrData, 2016, 1, x160166 |
1542519 | CIF HKL Paper | C8 H4 Br N O2 | P n a 21 | 25.1411; 5.6851; 5.1593 90; 90; 90 | 737.42 | Gurung, Sita; Golen, James A.; Manke, David R. 5-Bromo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160177 |
1542520 | CIF HKL Paper | C64 H78 B2 N4 O2 | P -1 | 11.4419; 14.1461; 18.8503 110.635; 101.824; 97.8879 | 2720.7 | Tiritiris, Ioannis; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate IUCrData, 2016, 1, x160129 |
1542521 | CIF | C21 H24 O3 | P 1 21 1 | 8.8945; 21.16; 9.0481 90; 91.63; 90 | 1702.23 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542522 | CIF | C18 H20 O3 | P 1 21 1 | 7.503; 10.304; 10.253 90; 92.82; 90 | 791.7 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542523 | CIF | C22 H28 O3 | P 21 21 21 | 7.5376; 10.5784; 23.8774 90; 90; 90 | 1903.9 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542524 | CIF | C15 H13 Br O2 | P 21 21 21 | 6.1506; 7.564; 28.362 90; 90; 90 | 1319.5 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542525 | CIF | C20 H24 O3 | P 21 21 21 | 8.6911; 9.1112; 21.5901 90; 90; 90 | 1709.64 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542526 | CIF | C12 H10 O2 | P 21 21 21 | 7.0175; 11.1406; 11.9874 90; 90; 90 | 937.16 | Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci., 2016, 7, 3649 |
1542527 | CIF | C72 H45 Ir N3 | P a -3 | 22.825; 22.825; 22.825 90; 90; 90 | 11891 | Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis Polym. Chem., 2016, 7, 2299 |
1542528 | CIF HKL | C14 H10 Cl N3 O | P -1 | 6.8759; 8.2563; 12.0403 109.156; 103.979; 91.485 | 622.41 | Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof (3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one IUCrData, 2016, 1, x160258 |
1542529 | CIF HKL Paper | C8 H4 Br N O2 | P 1 21/c 1 | 3.832; 13.072; 15.004 90; 91.917; 90 | 751.2 | Golen, James A.; Manke, David R. 7-Bromo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160268 |
1542530 | CIF HKL | C15 H22 N4 O16 | P -1 | 9.4495; 10.0608; 12.3484 109.133; 91.964; 106.201 | 1054.79 | Bengiat, Ravell; Klein, Asne; Gil, Maayan; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph 5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1<i>H</i>-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1<i>H</i>-pyrimidine-2,4,6-trione pentahydrate IUCrData, 2016, 1, x160261 |
1542531 | CIF HKL Paper | C26 H30 Cl4 N6 Ni2 O2 | P b c a | 11.913; 11.445; 20.7458 90; 90; 90 | 2828.6 | Glazier, Brian M.; Golen, James A.; Manke, David R. Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)] IUCrData, 2016, 1, x160259 |
1542532 | CIF HKL Paper | C8 H4 Br N O2 | P 1 21/c 1 | 7.3655; 13.689; 7.2866 90; 93.378; 90 | 733.4 | Huang, Haobo; Golen, James A.; Manke, David R. 4-Bromo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160007 |
1542533 | CIF | C28 H32 O4 S2 | P -1 | 6.0485; 6.9813; 15.2806 94.625; 94.955; 95.942 | 636.76 | Wang, Xiao-Ye; Zhang, Meng-Wen; Zhuang, Fang-Dong; Wang, Jie-Yu; Pei, Jian Lactone-fused electron-deficient building blocks for n-type polymer field-effect transistors: synthesis, properties, and impact of alkyl substitution positions Polym. Chem., 2016, 7, 2264 |
1542534 | CIF | C19 H18 N2 O3 | P c a 21 | 18.7959; 22.7469; 8.0182 90; 90; 90 | 3428.17 | Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido 3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation. Organic letters, 2016, 18, 1206 |
1542535 | CIF | C11 H10 F N O3 S | P 1 21/c 1 | 5.1196; 11.2852; 18.9656 90; 97.224; 90 | 1087.05 | Lorion, Mélanie M; Duarte, Filipe J. S.; Calhorda, Maria José; Oble, Julie; Poli, Giovanni Opening the Way to Catalytic Aminopalladation/Proxicyclic Dehydropalladation: Access to Methylidene γ-Lactams. Organic letters, 2016, 18, 1020 |
1542536 | CIF | C22 H16 F6 N4 O6 S2 Zn | C 1 2/c 1 | 9.92044; 14.02733; 18.6185 90; 101.515; 90 | 2538.75 | Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol., 2016, 6, 4824 |
1542537 | CIF | C26 H16 F6 N4 O6 S2 Zn | C 1 2/c 1 | 9.75476; 14.26536; 19.5942 90; 95.2384; 90 | 2715.25 | Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol., 2016, 6, 4824 |
1542538 | CIF | C24 H32 F6 N8 O6 S2 Zn | P 1 | 8.3731; 8.6907; 11.7281 68.851; 81.968; 82.401 | 785.04 | Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol., 2016, 6, 4824 |
1542539 | CIF | C26 H27 N O7 S | P 1 21 1 | 11.1671; 7.62443; 14.6056 90; 94.1026; 90 | 1240.37 | Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage Chem. Sci., 2016, 7, 3775 |
1542540 | CIF HKL Paper | C4 H26 B12 Cs N O | P 21 21 21 | 8.9771; 12.868; 14.5449 90; 90; 90 | 1680.19 | Tiritiris, Ioannis; Schleid, Thomas Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate IUCrData, 2016, 1, x160291 |
1542541 | CIF HKL Paper | C22 H22 N2 O4 S | P 1 21/n 1 | 5.6473; 26.7798; 13.3219 90; 99.743; 90 | 1985.66 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate IUCrData, 2016, 1, x160270 |
1542542 | CIF HKL Paper | C16 H22 N2 O7 | P 1 | 6.778; 6.953; 9.458 109.182; 93.369; 98.437 | 413.7 | Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro 4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate IUCrData, 2016, 1, x160252 |
1542543 | CIF | C9 H6.2 N6 O0.1 | R -3 m :H | 12.657; 12.657; 9.296 90; 90; 120 | 1289.7 | Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation. Chemical communications (Cambridge, England), 2016, 52, 4991-4994 |
1542544 | CIF | C12 H17 F9 N6 O7 | P b c n | 12.335; 21.047; 7.89 90; 90; 90 | 2048.4 | Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation. Chemical communications (Cambridge, England), 2016, 52, 4991-4994 |
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