Crystallography Open Database
Search results
Result: there are 4028 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching volume of publication is 3
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1553234 | CIF | C13 H14 Br N O3 S | P -1 | 7.8592; 9.0905; 9.748 79.19; 89.1; 77.31 | 667.1 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553235 | CIF | C16 H14 Br N O3 S | P 1 21/c 1 | 11.83; 9.2659; 14.59 90; 97.6; 90 | 1585.2 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553236 | CIF | C16 H14 Br N O3 S | P -1 | 8.3045; 9.415; 11.19 87.089; 73.797; 70.74 | 792.3 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553237 | CIF | C16 H14 Br N O3 S | P 1 21/c 1 | 15.825; 8.982; 11.426 90; 109.905; 90 | 1527.1 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553238 | CIF | C22 H25 N O3 | P 1 21 1 | 8.1343; 27.626; 8.8172 90; 97.223; 90 | 1965.7 | Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi Pd(ii)-catalyzed β-C–H arylation of O-methyl ketoximes with iodoarenes Organic Chemistry Frontiers, 2016, 3, 380 |
| 1553418 | CIF | C21 H15 Br F N O | P -1 | 5.9396; 11.302; 13.413 96.05; 99.59; 101.21 | 862 | Sheng, Jinyu; Su, Xiang; Cao, Chengyao; Chen, Chao Synthesis of benzo[1,3]oxazines via copper(i)-catalyzed cascade annulation of nitriles, aldehydes and diaryliodonium salts Organic Chemistry Frontiers, 2016, 3, 501 |
| 1553419 | CIF | C28 H22 F3 N O5 | P 21 21 21 | 9.1158; 9.8126; 28.3116 90; 90; 90 | 2532.46 | Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels–Alder reactions of olefinic azlactones Organic Chemistry Frontiers, 2016, 3, 598 |
| 1553420 | CIF | C25 H48 N2 O5 S Si | P 1 21 1 | 12.5809; 8.9728; 13.319 90; 93.554; 90 | 1500.64 | Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline Organic Chemistry Frontiers, 2016, 3, 683 |
| 1553421 | CIF | C20 H28 Cl N2 O4.5 S | P 21 21 21 | 11.701; 14.628; 25.939 90; 90; 90 | 4439.8 | Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline Organic Chemistry Frontiers, 2016, 3, 683 |
| 1553422 | CIF | C250 H238 F24 N18 O12 P4 Ru2 | P n n n :2 | 22.824; 22.583; 47.813 90; 90; 90 | 24644.5 | Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 661 |
| 1553423 | CIF | C90 H102 F12 N10 O8 P2 Ru | P 1 21/n 1 | 20.3614; 15.5902; 30.5936 90; 94.4504; 90 | 9682.3 | Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 661 |
| 1553424 | CIF | C102 H130 F12 N10 O26 S4 Zn2 | P -1 | 11.0301; 12.3939; 21.8715 76.878; 78.788; 87.305 | 2856.3 | Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 661 |
| 1553425 | CIF | C155 H166 Cl22 F24 N12 O12 P4 Ru2 | P -1 | 15.004; 15.1525; 21.5611 98.4023; 98.0121; 108.321 | 4512.9 | Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 661 |
| 1553426 | CIF | C98 H98 Br2 F12 N16 O10 P2 Ru | P 1 21/n 1 | 14.556; 24.668; 26.949 90; 93.27; 90 | 9660.8 | Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S. Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 667 |
| 1553427 | CIF | C180 H194 F24 N22 O18 P4 Ru2 | P -1 | 13.6711; 16.967; 22.4266 71.073; 82.622; 68.288 | 4571.45 | Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S. Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes Organic Chemistry Frontiers, 2016, 3, 667 |
| 1553428 | CIF | C14 H16 O5 | P 1 21/c 1 | 19.5895; 7.0388; 9.2405 90; 91.626; 90 | 1273.63 | Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds Organic Chemistry Frontiers, 2016, 3, 714 |
| 1553429 | CIF | C14 H16 O5 | P 1 21/c 1 | 8.144; 14.5913; 11.013 90; 94.901; 90 | 1303.91 | Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds Organic Chemistry Frontiers, 2016, 3, 714 |
| 1553430 | CIF | C17 H16 Cl N O2 | P 21 21 21 | 8.1449; 10.8999; 16.4545 90; 90; 90 | 1460.81 | Vyas, Vijyesh K.; Bhanage, Bhalchandra M. Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions Organic Chemistry Frontiers, 2016, 3, 614 |
| 1553431 | CIF | C31 H28 N4 O3 | P 1 21 1 | 9.837; 10.113; 14.456 90; 106.063; 90 | 1382 | Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines Organic Chemistry Frontiers, 2016, 3, 709 |
| 1553432 | CIF | C23 H15 Cl3 N2 O2 | P c a 21 | 7.7032; 16.441; 14.9629 90; 90; 90 | 1895 | Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling Organic Chemistry Frontiers, 2016, 3, 799 |
| 1553433 | CIF | C21 H12 Cl N3 O2 | P -1 | 7.147; 7.9449; 16.405 101.767; 96.018; 106.731 | 859.9 | Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling Organic Chemistry Frontiers, 2016, 3, 799 |
| 1553434 | CIF | C16 H11 Br O2 | P 1 21/c 1 | 9.986; 15.521; 8.74 90; 101.027; 90 | 1329.6 | Qiu, Guanyinsheng; Liu, Tong; Ding, Qiuping Tandem oxidative radical brominative addition of activated alkynes and spirocyclization: switchable synthesis of 3-bromocoumarins and 3-bromo spiro-[4,5] trienone Organic Chemistry Frontiers, 2016, 3, 510 |
| 1553435 | CIF | C37 H24 O3 | P -1 | 6.3266; 11.3868; 18.6894 94.305; 99.144; 100.166 | 1301 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553436 | CIF | C37 H26 O2 | P -1 | 6.514; 11.9444; 17.215 93.28; 94.949; 104.241 | 1289.2 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553437 | CIF | C38 H27 N O3.5 | P -1 | 12.8713; 12.9061; 18.4438 83.491; 70.221; 87.197 | 2864.3 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553438 | CIF | C41 H34 O6 | P 1 21/c 1 | 9.5936; 9.4163; 34.688 90; 93.15; 90 | 3128.8 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553439 | CIF | C38 H26 O2 | P -1 | 9.837; 10.766; 13.71 87.68; 77.4; 71.54 | 1343.4 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553440 | CIF | C29 H20 O | C 1 2/c 1 | 26.128; 8.1552; 21.487 90; 119.724; 90 | 3976 | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers, 2016, 3, 603 |
| 1553441 | CIF | C71 H64 O24 | P 1 21/c 1 | 19.7803; 8.925; 17.1219 90; 93.062; 90 | 3018.37 | Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling Organic Chemistry Frontiers, 2016, 3, 537 |
| 1553442 | CIF | C20 H24 N2 | P 1 21/n 1 | 13.1094; 8.943; 14.6031 90; 105.214; 90 | 1652.03 | Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles Organic Chemistry Frontiers, 2016, 3, 609 |
| 1553443 | CIF | C23 H24 N2 S | P 1 21/n 1 | 11.6939; 9.4598; 16.9069 90; 91.481; 90 | 1869.65 | Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles Organic Chemistry Frontiers, 2016, 3, 609 |
| 1553444 | CIF | C16 H16 O3 S | P 21 21 21 | 5.9262; 8.0475; 31.957 90; 90; 90 | 1524.06 | Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group Organic Chemistry Frontiers, 2016, 3, 795 |
| 1553445 | CIF | C23 H20 Br2 N2 O2 | P 1 21/n 1 | 13.4028; 11.2931; 14.0439 90; 91.99; 90 | 2124.4 | Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone Organic Chemistry Frontiers, 2016, 3, 759 |
| 1553446 | CIF | C36 H56 Au Cl N O P S | P 1 21 1 | 12.5457; 22.382; 12.6621 90; 92.052; 90 | 3553.2 | Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone Organic Chemistry Frontiers, 2016, 3, 759 |
| 1553447 | CIF | C26 H21 N O3 S | C 1 2/c 1 | 21.51; 10.73; 19.7 90; 113.492; 90 | 4170 | Gong, Xinxing; Xia, Hongguang; Wu, Jie A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones Organic Chemistry Frontiers, 2016, 3, 697 |
| 1553448 | CIF | C23 H21 F N4 | P -1 | 10.5273; 11.4221; 34.217 90.072; 98.137; 105.697 | 3917.7 | Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles Organic Chemistry Frontiers, 2016, 3, 744 |
| 1553449 | CIF | C32 H25 N O6 | P 21 21 21 | 9.02156; 9.44417; 30.948 90; 90; 90 | 2636.81 | Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes Organic Chemistry Frontiers, 2016, 3, 861 |
| 1553450 | CIF | C21 H13 N S | P -1 | 7.187; 10.356; 11.075 66.214; 86.273; 89.284 | 752.6 | Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles Organic Chemistry Frontiers, 2016, 3, 870 |
| 1553451 | CIF | C22 H17 N O2 S | P -1 | 11.0789; 11.6353; 16.29 93.084; 106.29; 115.259 | 1786.1 | Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles Organic Chemistry Frontiers, 2016, 3, 870 |
| 1553452 | CIF | C19 H17 N O5 | P 1 21/n 1 | 13.5013; 18.6052; 13.6121 90; 106.649; 90 | 3275.9 | Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J. Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling–isomerization–elimination (CIE) sequence Organic Chemistry Frontiers, 2016, 3, 887 |
| 1553453 | CIF | C48 H53 Cl2 N3 O6 Ru S | P 1 21/c 1 | 8.4973; 40.566; 26.516 90; 97.469; 90 | 9063 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553454 | CIF | C44 H49 Cl2 N3 O3 Ru S | P n a 21 | 16.8326; 12.2762; 20.4575 90; 90; 90 | 4227.3 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553455 | CIF | C40 H47 Cl2 N3 O4 Ru S | P 1 21/c 1 | 11.3136; 21.889; 16.102 90; 97.063; 90 | 3957.3 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553456 | CIF | C36 H46 Cl2 N2 O3 Ru | P 1 21/c 1 | 20.114; 8.8782; 20.665 90; 105.736; 90 | 3552 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553457 | CIF | C22 H26 Cl3 N2 O Ru | P 21 21 2 | 12.073; 18.008; 10.7084 90; 90; 90 | 2328.1 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553458 | CIF | C42 H43 Cl2 N3 O4 Ru S | R -3 :H | 40.354; 40.354; 14.657 90; 90; 120 | 20670 | Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers, 2016, 3, 939 |
| 1553459 | CIF | C14 H10 F12 N2 | P 1 21/n 1 | 10.0639; 8.163; 20.469 90; 101.995; 90 | 1644.8 | Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K. A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones Organic Chemistry Frontiers, 2016, 3, 841 |
| 1553460 | CIF | C27 H26 Cl2 F3 N7 S | P b c a | 16.558; 17.307; 19.571 90; 90; 90 | 5608 | Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers, 2016, 3, 880 |
| 1553461 | CIF | C27 H23 F6 N7 S2 | P -1 | 9.817; 11.968; 13.149 102.73; 99.17; 104.43 | 1421.3 | Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers, 2016, 3, 880 |
| 1553462 | CIF | C27 H23 F6 N7 S2 | P 1 21/c 1 | 14.717; 15.564; 12.282 90; 103.48; 90 | 2735.8 | Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers, 2016, 3, 880 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!