Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1542754 | CIF HKL Paper | C14 H8 I N3 O2 | P 1 21/c 1 | 11.962; 9.0103; 13.2047 90; 109.893; 90 | 1338.29 | Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R. (<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide IUCrData, 2016, 1, x160315 |
| 1542755 | CIF HKL Paper | C12 H16 O3 | P 1 21/c 1 | 4.5856; 14.2281; 8.3312 90; 98.515; 90 | 537.57 | Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde IUCrData, 2016, 1, x160307 |
| 1542756 | CIF HKL Paper | C74 H91 Ge2 N5 S2 Si2 | P -1 | 11.0447; 13.4587; 13.9291 64.297; 82.371; 85.629 | 1848.74 | Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun 1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate IUCrData, 2016, 1, x160299 |
| 1542757 | CIF HKL Paper | C32 H78 Bi4 Cl16 N14 | P 1 21/c 1 | 12.6427; 18.8486; 15.1377 90; 112.782; 90 | 3325.8 | Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate IUCrData, 2016, 1, x160317 |
| 1542758 | CIF | C17.5 H16 Cl N O2 | P -1 | 5.98282; 11.5033; 22.3942 83.2783; 89.5639; 85.3431 | 1525.57 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542759 | CIF | C10 H9 N O2 | P 1 21/n 1 | 7.498; 5.69208; 19.4188 90; 90.668; 90 | 828.72 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542760 | CIF | C20 H19 N O4 | P -1 | 12.43088; 15.8294; 18.0723 92.4918; 101.882; 100.546 | 3408.97 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542761 | CIF | C15 H19 Br2 Cl O3 | P 1 21 1 | 15.775; 7.137; 16.382 90; 107.97; 90 | 1754.4 | Gutiérrez-Cepeda, Adrián; Fernández, José J; Norte, Manuel; López-Rodríguez, Matías; Brito, Iván; Muller, Christian D.; Souto, María L Additional Insights into the Obtusallene Family: Components of Laurencia marilzae. Journal of natural products, 2016, 79, 1184-1188 |
| 1542762 | CIF | C20 H31 N3 O | P 21 21 21 | 5.3218; 14.7425; 21.8252 90; 90; 90 | 1712.33 | Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton. Journal of natural products, 2016, 79, 1203-1207 |
| 1542763 | CIF | C20 H33 N3 | P 21 21 21 | 5.4602; 17.7085; 18.1951 90; 90; 90 | 1759.3 | Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton. Journal of natural products, 2016, 79, 1203-1207 |
| 1542764 | CIF | C50 H45 Cl F12 N10 O3 P2 Ru2 | C 1 2/c 1 | 36.067; 15.5582; 18.7893 90; 92.869; 90 | 10530.2 | Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol., 2016, 6, 5088 |
| 1542765 | CIF | C50.5 H43.25 Cl2 N13.75 O10 Ru2 | P 1 21/n 1 | 15.1819; 26.556; 15.5336 90; 112.382; 90 | 5790.9 | Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol., 2016, 6, 5088 |
| 1542766 | CIF | C14 H15 N O S | P 1 21/c 1 | 17.501; 5.6716; 12.6807 90; 104.641; 90 | 1217.8 | Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions Chem. Sci., 2016, 7, 4067 |
| 1542767 | CIF | C45 H56 Cl4 Cs2 N20 O13 Zn | C 1 c 1 | 16.17; 15.723; 22.381 90; 98.896; 90 | 5621.7 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542768 | CIF | C45 H77 Cl5 K2 N20 O23 Zn | P 21 21 21 | 11.478; 15.141; 34.706 90; 90; 90 | 6032 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542769 | CIF | C45 H75 Cl5 N20 Na2 O22 Zn | P 21 21 21 | 11.522; 15.252; 35.056 90; 90; 90 | 6160.5 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542770 | CIF | C45 H56 Cl4 N20 O13 Rb2 Zn | C 1 c 1 | 16.032; 15.689; 22.294 90; 99.974; 90 | 5522.8 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure–mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542840 | CIF HKL | C27 H29 Cl N2 O7 | P -1 | 11.9406; 21.3081; 5.103 92.373; 93.003; 85.308 | 1291.3 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542841 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 11.89; 4.9621; 21.4281 90; 90.663; 90 | 1264.16 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542842 | CIF HKL | C28 H25 Cl N2 O8 | P 1 21 1 | 16.959; 4.7993; 17.285 90; 113.55; 90 | 1289.7 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542843 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 21.7202; 5.0077; 11.8457 90; 93.954; 90 | 1285.4 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542844 | CIF HKL | C46 H46 Cl2 N4 O12 | P -1 | 7.3994; 25.6703; 5.8254 90.162; 98.598; 98.315 | 1082.2 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542845 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.0243; 9.4152; 10.928 82.75; 79.147; 76.703 | 688.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542846 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 6.9676; 21.336; 9.1861 90; 99.139; 90 | 1348.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542847 | CIF Paper | C12 H8 Cl5 N O | P 1 21 1 | 7.0572; 15.4665; 13.2112 90; 98.98; 90 | 1424.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542848 | CIF Paper | C12 H8 Cl5 N O | I 1 2/a 1 | 22.638; 7.2553; 18.013 90; 90.767; 90 | 2958.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542849 | CIF Paper | C12 H7 Cl5 N O | P -1 | 7.0681; 9.5008; 11.4095 85.402; 83.071; 71.211 | 719.36 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542850 | CIF Paper | C12 H9 Br Cl3 N O | P -1 | 7.0562; 9.373; 11.11 83.358; 79.173; 76.588 | 700 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542851 | CIF Paper | C12 H9 Cl3 I N O | P -1 | 7.083; 9.354; 11.456 84.118; 79.555; 76.553 | 724.5 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542852 | CIF Paper | C12 H7 Cl4 I N O | P -1 | 7.107; 9.498; 11.827 85.425; 81.804; 71.851 | 750.4 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542853 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 7.851; 11.865; 14.891 90; 106.79; 90 | 1328 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542854 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.208; 9.333; 10.884 99.035; 107.107; 102.219 | 664.8 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542855 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.1441; 9.3027; 11.8726 77.966; 74.889; 77.979 | 735.06 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542856 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.206; 9.2558; 11.3203 99.693; 99.616; 101.387 | 713.76 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542857 | CIF Paper | C14 H14 N2 O4 | C 1 2/c 1 | 24.698; 5.1072; 20.6682 90; 99.673; 90 | 2570 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542858 | CIF Paper | C14 H14 N2 O4 | P 1 21/c 1 | 12.41; 5.124; 20.06 90; 92.901; 90 | 1274 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542859 | CIF Paper | C14 H14 N2 O5 | P -1 | 4.76; 11.501; 12.539 77.081; 86.975; 81.302 | 661.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542860 | CIF | C44 H40 Ag2 N12 O8 | P b c m | 12.6641; 26.23; 35.269 90; 90; 90 | 11716 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1542861 | CIF | C24 H20 Ag F3 N6 O11 | I b a m | 6.4005; 26.426; 35.016 90; 90; 90 | 5922.6 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1542862 | CIF | C19 H20 Cl2 Cu N4 O9 | P 1 | 8.8284; 10.076; 14.925 76.39; 78.81; 66.84 | 1178.7 | Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D. Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis Inorganica Chimica Acta, 2016, 441, 86-94 |
| 1542863 | CIF | C18 H14 Cl Cu2 N3 O11 | P -1 | 8.5615; 10.268; 12.907 101.62; 100.94; 98.19 | 1071.8 | Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D. Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis Inorganica Chimica Acta, 2016, 441, 86-94 |
| 1542864 | CIF | C27 H42 Ge Si4 | C 1 2/c 1 | 16.881; 9.822; 36.65 90; 91.48; 90 | 6075 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542865 | CIF | C20 H60 Ge2 Si7 | C 1 2/c 1 | 17.055; 9.2847; 24.665 90; 107.01; 90 | 3734.9 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542866 | CIF | C20 H60 Ge3 Si6 | C 1 2/c 1 | 16.971; 9.1675; 24.282 90; 106.44; 90 | 3623.4 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542867 | CIF | C24 H72 Ge2 Si9 | C 1 2/c 1 | 15.585; 9.899; 58.109 90; 96.19; 90 | 8913 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542868 | CIF | C26 H78 Ge2 Si10 | P -1 | 8.9902; 9.1616; 16.368 82.1; 75.6; 66.72 | 1198.3 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542869 | CIF | C22 H66 Ge8 Si2 | C 1 2/c 1 | 16.022; 9.915; 26.387 90; 92.34; 90 | 4188.3 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542870 | CIF | C26 H78 Ge8 Si4 | P -1 | 9.0562; 9.254; 16.465 82.49; 76.48; 67.77 | 1240.5 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542871 | CIF | C30 H90 Ge8 Si6 | P 1 21/c 1 | 14.566; 9.7242; 41.632 90; 94.27; 90 | 5881 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542872 | CIF | C30 H90 Ge3 Si12 | P -1 | 9.755; 9.882; 33.4 88.55; 83.27; 66.97 | 2942 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542873 | CIF | C18 H54 Ge2 Si7 | P 1 21/c 1 | 9.2278; 32.901; 12.868 90; 117.97; 90 | 3450.4 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542874 | CIF | C18 H48 Ge Si4 | R 3 :H | 14.513; 14.513; 10.772 90; 90; 120 | 1964.9 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542875 | CIF | C18 H48 Ge5 | R 3 :H | 14.643; 14.643; 10.892 90; 90; 120 | 2022.5 | Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta, 2014, 422, 120-133 |
| 1542876 | CIF HKL Paper | C11 H6 Cl N O2 | C 1 2/c 1 | 15.0004; 7.9035; 16.888 90; 101.057; 90 | 1965 | Bargavi, Srinivasan; Kandhasamy, Subramani; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan 5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione IUCrData, 2016, 1, x160397 |
| 1542877 | CIF HKL Paper | C5 H12 F3 N O3 S | P 1 21/m 1 | 10.216; 8.507; 11.445 90; 101.807; 90 | 973.6 | Bourque, Jeremy L.; Baines, Kim M. Tetramethylammonium trifluoromethanesulfonate IUCrData, 2016, 1, x160370 |
| 1542878 | CIF HKL Paper | C39 H90 Bi3 I12 N9 | R -3 | 18.7962; 18.7962; 36.666 90; 90; 120 | 11218.5 | Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III) IUCrData, 2016, 1, x160391 |
| 1542879 | CIF HKL | C16 H20 Br N O2 | P -1 | 4.5284; 13.2044; 25.9133 96.663; 90.728; 95.393 | 1531.77 | Kharbach, Yassine; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen 5-Bromo-1-octylindoline-2,3-dione IUCrData, 2016, 1, x160371 |
| 1542880 | CIF HKL Paper | C8 H4 I N O2 | P 1 21/c 1 | 4.0896; 13.2139; 15.1946 90; 92.325; 90 | 820.43 | Golen, James A.; Manke, David R. 7-Iodo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160412 |
| 1542881 | CIF HKL Paper | C7 H5 Br O3 | P -1 | 3.9283; 5.9578; 15.1246 92.925; 90.62; 94.71 | 352.28 | Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P. 4-Bromo-2-hydroxybenzoic acid IUCrData, 2016, 1, x160325 |
| 1542882 | CIF HKL Paper | C9 H14 N2 | P 1 21/c 1 | 8.1735; 12.9313; 8.73 90; 105.803; 90 | 887.83 | Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali Diaminomesitylene IUCrData, 2016, 1, x160351 |
| 1542883 | CIF HKL Paper | C33 H68 Li N9 Si6 | P 1 21/c 1 | 23.077; 18.798; 11.169 90; 98.744; 90 | 4789 | Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L. Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium IUCrData, 2016, 1, x160338 |
| 1542884 | CIF HKL Paper | C5 H9 Cl3 Ga N | P 1 21/c 1 | 6.517; 19.393; 8.5991 90; 102.287; 90 | 1061.9 | Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M. (<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III) IUCrData, 2016, 1, x160389 |
| 1542885 | CIF HKL | C19 H16 O | C 1 c 1 | 31.27; 5.672; 7.8812 90; 99.271; 90 | 1379.58 | Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata 4-Benzyloxy-1,1'-biphenyl IUCrData, 2016, 1, x160398 |
| 1542886 | CIF HKL Paper | C14 H20 O3 S | P 1 21/c 1 | 11.39; 10.9935; 12.5613 90; 113.79; 90 | 1439.2 | Paquin, Cyrenus T.; Boerth, Donald W.; Golen, James A.; Manke, David R. 4-Methylcyclohexyl <i>p</i>-toluenesulfonate IUCrData, 2016, 1, x160390 |
| 1542887 | CIF HKL | C16 H13 N O2 | P b c a | 14.6122; 8.3882; 20.911 90; 90; 90 | 2563.1 | Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P. 1-Benzyl-5-methylindoline-2,3-dione IUCrData, 2016, 1, x160381 |
| 1542888 | CIF | C31 H34 N2 O4 P2 Ru | I -4 | 19.4893; 19.4893; 21.1331 90; 90; 90 | 8027 | Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex. Organic letters, 2016, 18, 1518-1521 |
| 1542889 | CIF | C14 H18 O6 | P 1 21/c 1 | 6.2663; 14.1771; 16.226 90; 97.633; 90 | 1428.7 | Cao, Tao; Ma, Shengming Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide. Organic letters, 2016, 18, 1510-1513 |
| 1542890 | CIF | C14 H18 O6 | P -1 | 7.9442; 9.3857; 10.6485 68.342; 77.473; 84.276 | 720.18 | Cao, Tao; Ma, Shengming Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide. Organic letters, 2016, 18, 1510-1513 |
| 1542891 | CIF | C23 H18 N2 O | P -1 | 9.556; 10.061; 10.958 73.61; 65.525; 68.71 | 882.6 | Zhang, Jingjing; Gao, Qinghe; Wu, Xia; Geng, Xiao; Wu, Yan-Dong; Wu, Anxin Dual Roles of Methyl Ketones in Radziszewski-Type Reaction: Formal [2 + 1 + 1 + 1] Synthesis of 1,2,5-Trisubstituted Imidazoles. Organic letters, 2016, 18, 1686-1689 |
| 1542892 | CIF | C22 H28 Br2 Cl Fe N4 O6 | P b c n | 10.3027; 14.2644; 18.1624 90; 90; 90 | 2669.18 | Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N. Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound Chem. Sci., 2016, 7, 4251 |
| 1542893 | CIF | C22 H28 Br2 Cl Fe N4 O6 | P b c n | 11.931; 12.17; 19.166 90; 90; 90 | 2782.9 | Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N. Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound Chem. Sci., 2016, 7, 4251 |
| 1542894 | CIF | C17 H10.5 N P0.5 | P n m a | 15.8239; 19.3822; 7.8312 90; 90; 90 | 2401.8 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
| 1542895 | CIF | C34.5 H21.5 Cl1.5 N2 O P | P -1 | 11.925; 12.375; 18.662 87.764; 76.46; 83.562 | 2660 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
| 1542896 | CIF | C28 H17 N4 P S | P c c n | 17.008; 32.243; 7.688 90; 90; 90 | 4216 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
| 1542897 | CIF | C28 H19 N2 P | P 1 21/n 1 | 8.5379; 12.3661; 20.2417 90; 99.918; 90 | 2105.19 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
| 1542898 | CIF | C27 H18 N3 O3 P | P -1 | 10.2381; 13.0126; 17.4162 89.311; 88.175; 67.825 | 2147.6 | Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin [d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines Chem. Sci., 2016, 7, 4211 |
| 1542899 | CIF HKL Paper | C23 H18 Cl N5 O4 S | P -1 | 8.1828; 12.1541; 12.3654 114.474; 93.681; 96.949 | 1102.14 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Bakhite, Etify A.; Albayati, Mustafa R. 2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide IUCrData, 2016, 1, x160452 |
| 1542900 | CIF HKL Paper | C12 H12 O | P c a 21 | 9.8022; 14.9047; 12.643 90; 90; 90 | 1847.13 | Garozzo, Lee Ann; Nazarenko, Alexander Y. 2-(Naphthalen-1-yl)ethanol IUCrData, 2016, 1, x160423 |
| 1542901 | CIF HKL Paper | C16 H16 N2 O2 | P 1 21/c 1 | 11.7678; 13.0072; 9.9025 90; 112.371; 90 | 1401.66 | Maheswari, R.; Manjula, J.; Gunasekaran, B. (<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide IUCrData, 2016, 1, x160431 |
| 1542902 | CIF HKL Paper | C18 H18 O3 | P b c a | 16.1115; 7.704; 23.873 90; 90; 90 | 2963.2 | Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B. 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one IUCrData, 2016, 1, x160430 |
| 1542903 | CIF HKL Paper | C38 H119 O83.5 P2 S17 W18 Zn3 | P -1 | 17.377; 18.889; 19.705 94.766; 90.035; 104.681 | 6233 | Hammami, Imen; Ghandour, Yassine; Belkhiria, Mohamed Salah Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3) IUCrData, 2016, 1, x160406 |
| 1542904 | CIF | C24 H37 N O6 | P -1 | 8.0327; 9.3726; 16.1657 77.401; 85.464; 69.356 | 1111.49 | Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process Chem. Sci., 2016, 7, 4372 |
| 1542905 | CIF | C27 H44 O7 | P 21 21 21 | 11.5247; 12.6097; 18.36 90; 90; 90 | 2668.1 | Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480. Journal of natural products, 2016, 79, 806-811 |
| 1542906 | CIF | C24 H34 O3 | P 21 21 21 | 8.4475; 10.3954; 24.175 90; 90; 90 | 2122.9 | Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480. Journal of natural products, 2016, 79, 806-811 |
| 1542907 | CIF | C24 H36 O3 | P 21 21 21 | 8.6259; 9.3446; 27.3784 90; 90; 90 | 2206.9 | Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480. Journal of natural products, 2016, 79, 806-811 |
| 1542908 | CIF | C26 H38 O6 | P 21 21 21 | 8.0099; 8.5188; 35.9835 90; 90; 90 | 2455.3 | Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480. Journal of natural products, 2016, 79, 806-811 |
| 1542909 | CIF | C17 H19 N3 O2 S3 | P 21 21 21 | 6.088; 12.5452; 23.207 90; 90; 90 | 1772.4 | Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp. Organic letters, 2016, 18, 1658-1661 |
| 1542910 | CIF | C17 H19 N3 O2 S3 | P 21 21 21 | 9.8806; 10.4876; 17.144 90; 90; 90 | 1776.5 | Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp. Organic letters, 2016, 18, 1658-1661 |
| 1542911 | CIF | C21 H17 N O7 | P 1 | 8.914; 10.559; 10.6874 82.779; 72.066; 70.261 | 900.55 | Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones Catal. Sci. Technol., 2016, 6, 4686 |
| 1542912 | CIF | C111 H81 Br2 F18 N15 O22 Zn5 | P -3 | 23.023; 23.023; 16.459 90; 90; 120 | 7555 | Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali [C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions Chem. Sci., 2016, 7, 2524 |
| 1542913 | CIF | C25 H16 N2 | P 1 21/c 1 | 9.94167; 11.68932; 15.15921 90; 107.862; 90 | 1676.76 | Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 580-588 |
| 1542914 | CIF | C25 H16 N2 | P 1 21/n 1 | 9.13704; 8.8076; 21.4207 90; 93.0448; 90 | 1721.41 | Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 580-588 |
| 1542915 | CIF HKL | Fe11.52 Lu8 O56 Ti12.48 | P c n b | 9.80934; 13.50693; 7.303017 90; 90; 90 | 967.606 | T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; A. Arauzo; J. Bartolome Spin-glass Magnetism in RFeTi2O7 (R=Lu and Tb) Compounds Physics Procedia, 2014, 75, 580-588 |
| 1542916 | CIF HKL | Fe7.34 O56 Tb8 Ti16.66 | P c n b | 9.8568; 13.59424; 7.3788 90; 90; 90 | 988.73 | T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; A. Arauzo; J. Bartolome Spin-glass Magnetism in RFeTi2O7 (R=Lu and Tb) Compounds Physics Procedia, 2014, 75, 580-588 |
| 1542917 | CIF HKL | C16 H26 Ca N4 O6 S2 | P b c a | 9.3535; 13.8812; 16.9106 90; 90; 90 | 2195.64 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
| 1542918 | CIF HKL | C16 H26 N4 O6 S2 Sr | P b c a | 9.529; 14.161; 17.094 90; 90; 90 | 2306.7 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 1542920 | CIF HKL | B4 Mn5.64 Ni6.36 O20 | P b a m | 9.1757; 12.3163; 2.9978 90; 90; 90 | 338.78 | Moshkina Evgeniya; Sofronova Svetlana; Veligzhanin Alexey; Molokeev Maxim; Nazarenko Ilya; Eremin Evgeniy; Bezmaternykh Leonard Magnetism and Structure of Ni2MnBO5 ludwigite Journal of Magnetism and Magnetic Materials, 2016, 402, 69-75 |
| 1542921 | CIF HKL | Al24 Eu0.12 O38 Sr1.88 | P 63/m m c | 5.568411; 5.568411; 22.00704 90; 90; 120 | 590.956 | Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors Ceramics International, 2016, 42, 5995-5999 |
| 1542922 | CIF HKL | Al24 Eu0.16 O38 Sr1.84 | P 63/m m c | 5.568011; 5.568011; 22.00807 90; 90; 120 | 590.898 | Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors Ceramics International, 2016, 42, 5995-5999 |
| 1542923 | CIF | C17 H26 O Si | P 1 21/c 1 | 8.7087; 31.9349; 14.3643 90; 123.574; 90 | 3328.42 | Kanno, Hiroshi; Nakamura, Kyosuke; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken Rhodium-Catalyzed Cycloisomerization of 2-Silylethynyl Phenols and Anilines via 1,2-Silicon Migration. Organic letters, 2016, 18, 1654-1657 |
| 1542924 | CIF | C18 H20 N2 O4 | P 1 21/c 1 | 16.557; 10.8619; 9.5381 90; 99.792; 90 | 1690.3 | Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia Rhodium(III) Catalyzed Carboamination of Alkenes Triggered by C-H Activation of N-Phenoxyacetamides under Redox-Neutral Conditions. Organic letters, 2016, 18, 1702-1705 |
| 1542925 | CIF | C32 H32 B N S | P 1 21/n 1 | 9.841; 15.741; 17.1529 90; 104.041; 90 | 2577.72 | Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning 1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes. Organic letters, 2016, 18, 1626-1629 |
| 1542926 | CIF | C34 H36 B N3 | P 1 21/c 1 | 21.303; 13.582; 9.6038 90; 95.171; 90 | 2767.4 | Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning 1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes. Organic letters, 2016, 18, 1626-1629 |
| 1542927 | CIF | C38 H56 N4 O2 | P 1 21/n 1 | 18.6106; 9.3237; 20.2857 90; 98.941; 90 | 3477.2 | Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L. Reversible gel–sol photoswitching with an overcrowded alkene-based bis-urea supergelator Chem. Sci., 2016, 7, 4341 |
| 1542928 | CIF | C80 H76 Ce Li2 O11 | P 1 21/c 1 | 15.7715; 12.9851; 32.521 90; 97.852; 90 | 6597.7 | Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J. The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii) Chem. Sci., 2016, 7, 4537 |
| 1542929 | CIF | C97 H112 Ce Li3 O14 | P -1 | 15.6917; 16.7884; 18.8233 111.706; 103.016; 97.558 | 4360.6 | Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J. The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii) Chem. Sci., 2016, 7, 4537 |
| 1542930 | CIF | C18 H15 N O3 S | P -1 | 8.0503; 8.2338; 12.787 78.396; 73.972; 85.069 | 797.6 | Murayama, Hiroaki; Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates. Organic letters, 2016, 18, 1706-1709 |
| 1542931 | CIF HKL Paper | C16 H15 N3 O4 | P 1 21/c 1 | 13.1432; 13.613; 8.3381 90; 98.495; 90 | 1475.5 | Inturi, Bharathkumar; Roopashree, K. R.; Pujar, Gurubasavaraj V.; Mohammed, Irfan Ali; Devarajegowda, H. C. 2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol IUCrData, 2016, 1, x160466 |
| 1542932 | CIF HKL Paper | C28 H43 N | P 1 21/c 1 | 17.7676; 13.138; 11.4852 90; 108.261; 90 | 2546 | Wang, Limin; Wang, Shengpei; Liu, Shenggao Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine IUCrData, 2016, 1, x160424 |
| 1542933 | CIF HKL Paper | C39 H72 Bi2 I9 N9 | C 1 2/c 1 | 14.1643; 16.7047; 24.9505 90; 91.601; 90 | 5901.2 | Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)] IUCrData, 2016, 1, x160427 |
| 1542934 | CIF HKL | C4 H6 N2 S2 | P 1 21/c 1 | 15.2211; 12.2037; 14.4716 90; 98.788; 90 | 2656.6 | Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G. Dimethyl <i>N</i>-cyanodithioiminocarbonate IUCrData, 2016, 1, x160454 |
| 1542935 | CIF HKL Paper | C22 H20 Cl2 N2 O | P c a 21 | 20.9334; 10.2009; 9.0493 90; 90; 90 | 1932.4 | Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri 1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone IUCrData, 2016, 1, x160474 |
| 1542936 | CIF HKL Paper | C10 H7 N3 O2 | P 1 21/n 1 | 4.0105; 21.0705; 10.7451 90; 96.323; 90 | 902.47 | Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole IUCrData, 2016, 1, x160480 |
| 1542937 | CIF HKL Paper | C14 H19 N7 | P 21 21 21 | 7.7705; 9.8189; 21.5478 90; 90; 90 | 1644.05 | Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide IUCrData, 2016, 1, x160478 |
| 1542938 | CIF | C11 H6 N O5 Zn | C 1 2/m 1 | 11.191; 14.136; 7.975 90; 106.894; 90 | 1207.2 | Yang, Xiaogang; Yan, Dongpeng Long-afterglow metal‒organic frameworks: reversible guest-induced phosphorescence tunability Chem. Sci., 2016, 7, 4519 |
| 1542939 | CIF | C40 H60 N P2 Pd | P -1 | 9.9475; 13.7704; 14.6585 98.995; 100.851; 97.3666 | 1921.9 | Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M. Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes Chem. Sci., 2016, 7, 4444 |
| 1542940 | CIF | C45 H62 N P2 Pd | C 1 2/c 1 | 20.2994; 17.5268; 15.9561 90; 123.775; 90 | 4718.8 | Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M. Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes Chem. Sci., 2016, 7, 4444 |
| 1542941 | CIF | C40 H59 K P2 Pd | C 1 2/c 1 | 26.989; 12.0603; 23.568 90; 96.879; 90 | 7616.1 | Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M. Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes Chem. Sci., 2016, 7, 4444 |
| 1542942 | CIF | C49 H72 K N O P2 Pd | P 1 21/n 1 | 10.2409; 18.169; 25.743 90; 90.553; 90 | 4789.7 | Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M. Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes Chem. Sci., 2016, 7, 4444 |
| 1542943 | CIF | C23 H17 F4 N O | P 1 2/c 1 | 13.0334; 8.6509; 17.4221 90; 101.862; 90 | 1922.41 | Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives. Organic letters, 2016, 18, 1784-1787 |
| 1542944 | CIF | C16 H11 F5 O | P b c a | 22.905; 7.8263; 15.601 90; 90; 90 | 2796.7 | Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives. Organic letters, 2016, 18, 1784-1787 |
| 1542945 | CIF | C28 H40 O4 | P 1 21/n 1 | 11.2485; 11.2825; 20.3694 90; 100.559; 90 | 2541.33 | Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum. Organic letters, 2016, 18, 1876-1879 |
| 1542946 | CIF | C29 H42 O4 | P 1 21 1 | 10.7495; 10.9897; 11.3193 90; 106.928; 90 | 1279.25 | Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum. Organic letters, 2016, 18, 1876-1879 |
| 1542947 | CIF | C29 H42 O4 | P 1 21 1 | 11.0867; 10.5463; 11.7485 90; 109.197; 90 | 1297.29 | Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum. Organic letters, 2016, 18, 1876-1879 |
| 1542948 | CIF | C28 H40 O4 | P 21 21 21 | 8.6184; 16.3163; 17.7667 90; 90; 90 | 2498.36 | Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum. Organic letters, 2016, 18, 1876-1879 |
| 1542949 | CIF | C29 H44 O4 | P 1 21 1 | 13.38314; 6.24052; 16.58575 90; 105.584; 90 | 1334.28 | Hilario-Martínez, J Ciciolil; Zeferino-Díaz, Reyna; Muñoz-Hernández, Miguel A; Hernández-Linares, Ma Guadalupe; Cabellos, José Luis; Merino, Gabriel; Sandoval-Ramírez, Jesús; Jin, Zhendong; Fernández-Herrera, María A Regioselective Spirostan E-Ring Opening for the Synthesis of Dihydropyran Steroidal Frameworks. Organic letters, 2016, 18, 1772-1775 |
| 1542950 | CIF | C22 H22 F6 I N3 O8 S2 | P -1 | 11.2415; 12.0721; 12.4456 71.657; 70.424; 72.905 | 1476.55 | Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E. Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols. Organic letters, 2016, 18, 1896-1899 |
| 1542951 | CIF | C20 H18 F6 O2 | P -1 | 9.2002; 9.5076; 11.4762 101.253; 101.453; 103.53 | 925.3 | Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E. Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols. Organic letters, 2016, 18, 1896-1899 |
| 1542952 | CIF | C20 H22 N2 O3 S | P 1 21/c 1 | 13.5634; 9.094; 15.4845 90; 100.494; 90 | 1878 | Kim, Youyoung; Park, Juhyeon; Chang, Sukbok A Direct Access to 7-Aminoindoles via Iridium-Catalyzed Mild C-H Amidation of N-Pivaloylindoles with Organic Azides. Organic letters, 2016, 18, 1892-1895 |
| 1542953 | CIF | C22 H15 Br N2 O | P -1 | 7.9172; 9.9111; 12.2268 71.212; 89.404; 76.745 | 882 | Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines. Organic letters, 2016, 18, 1864-1867 |
| 1542954 | CIF | C22 H18 N2 O | P -1 | 9.2118; 9.4709; 10.8004 84.286; 77.568; 64.183 | 828.32 | Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines. Organic letters, 2016, 18, 1864-1867 |
| 1542955 | CIF | C38 H60 Cl Fe N2 O3 | P 1 21/n 1 | 12.492; 9.7027; 31.799 90; 94.843; 90 | 3840.5 | Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M. Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes Catal. Sci. Technol., 2016, 6, 5364 |
| 1542956 | CIF | C30.5 H45 Cl Fe N2 O2.5 | C 1 2/c 1 | 27.898; 9.683; 23.472 90; 110.032; 90 | 5957 | Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M. Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes Catal. Sci. Technol., 2016, 6, 5364 |
| 1542957 | CIF | C26 H24 N2 O2 S | P 21 21 21 | 10.3771; 13.7178; 15.7246 90; 90; 90 | 2238.4 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542958 | CIF | C26 H24 N2 O2 S | P 1 21 1 | 10.6807; 8.6932; 12.7653 90; 101.848; 90 | 1160 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542959 | CIF | C26 H25 N2 O2.5 S | P 21 21 21 | 6.763; 11.797; 28.909 90; 90; 90 | 2306.4 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542960 | CIF | C20 H20 N2 O2 S | P 21 21 21 | 8.4047; 8.8853; 24 90; 90; 90 | 1792.3 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542961 | CIF | C26 H24 N2 O2 S | P 21 21 21 | 11.8055; 13.0054; 14.4044 90; 90; 90 | 2211.6 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542962 | CIF | C26 H24 N2 O2 S | P 1 21/c 1 | 12.3031; 10.1584; 17.27 90; 95.303; 90 | 2149.2 | Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding Chem. Sci., 2016, 7, 4453 |
| 1542963 | CIF | C124 H72 Cl16 N16 Tb2 | I 4/m | 14.313; 14.313; 25.736 90; 90; 90 | 5272 | Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets Chem. Sci., 2016, 7, 4329 |
| 1542964 | CIF | C110 H62 Cl6 N20 Tb2 | P 1 21/c 1 | 13.8; 27.638; 23.522 90; 98.391; 90 | 8875 | Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets Chem. Sci., 2016, 7, 4329 |
| 1542965 | CIF | C25 H25 Cl N2 O3 S2 | P -1 | 8.3113; 12.197; 12.7574 101.086; 105.393; 93.456 | 1215.1 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
| 1542966 | CIF | C23 H17 Cl N2 O S2 | P b c a | 9.1702; 18.4101; 24.3386 90; 90; 90 | 4108.9 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
| 1542967 | CIF | C24 H16 Cl N3 O S2 | P 1 21/c 1 | 14.1636; 7.6109; 20.6614 90; 103.485; 90 | 2165.85 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
| 1542968 | CIF | C24 H20 Cl N3 O2 S3 | P -1 | 9.5948; 10.3128; 12.0188 87.285; 86.081; 83.966 | 1178.93 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
| 1542969 | CIF | C30 H24 Cl N3 O2 S3 | P -1 | 10.6742; 10.973; 13.2942 112.061; 95.45; 93.025 | 1429.98 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
| 1542970 | CIF | C14 H8 Br2 F2 | P -1 | 4.037; 5.968; 13.092 79.09; 87.09; 85.96 | 308.7 | Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui Fluorodiphenylethene-Containing Donor–Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors Macromolecules, 2016, 49, 2582 |
| 1542971 | CIF | C14 H14 Br N O2 | P 1 21/n 1 | 11.2913; 9.9716; 12.7496 90; 115.977; 90 | 1290.5 | Gade, Amol B.; Patil, Nitin T. Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes. Organic letters, 2016, 18, 1844-1847 |
| 1542972 | CIF | C17 H20 Cl N O2 | P 21 21 21 | 6.2853; 10.2495; 23.3386 90; 90; 90 | 1503.5 | Gade, Amol B.; Patil, Nitin T. Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes. Organic letters, 2016, 18, 1844-1847 |
| 1542973 | CIF | C22 H16 N2 O2 S | P 1 21/c 1 | 11.8546; 8.9058; 17.5841 90; 92.201; 90 | 1855.1 | Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations. Organic letters, 2016, 18, 1884-1887 |
| 1542974 | CIF | C44 H32 N2 O5 S | P -1 | 11.2207; 11.9968; 14.8113 69.493; 75.67; 69.385 | 1730.2 | Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations. Organic letters, 2016, 18, 1884-1887 |
| 1542975 | CIF HKL Paper | C26 H22 N8 O4 S3 | P -1 | 7.4551; 11.9212; 15.1931 90.605; 99.245; 105.408 | 1282.8 | Bharti, Akhilesh; Nath, Paras; Bharati, Pooja; Gupta, Sushil K.; Bharty, Manoj K. Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate IUCrData, 2016, 1, x160446 |
| 1542976 | CIF HKL Paper | C14 H11 N3 O2 | P 1 21/n 1 | 14.0236; 6.9976; 25.3551 90; 105.245; 90 | 2400.58 | Boulhaoua, Mohammed; Abdelahi, Mohammed Mokhtar; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Benzyl-5-nitro-1<i>H</i>-indazole IUCrData, 2016, 1, x160485 |
| 1542977 | CIF HKL Paper | C34 H28 F6 Ir N4 O2 P | P 1 21/c 1 | 9.4106; 14.936; 24.175 90; 90.29; 90 | 3397.9 | Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa (4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate IUCrData, 2016, 1, x160487 |
| 1542978 | CIF HKL Paper | C18 H21 N3 O2 | P 1 21/c 1 | 5.8594; 18.8756; 16.0649 90; 108.13; 90 | 1688.56 | Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide IUCrData, 2016, 1, x160464 |
| 1542979 | CIF HKL Paper | C12 H23 N3 S | P 1 21 1 | 11.5579; 9.9279; 12.5271 90; 95.03; 90 | 1431.89 | de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira 2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide IUCrData, 2016, 1, x160459 |
| 1542980 | CIF HKL Paper | C28 H44 N4 O6 Rb | P 1 2/n 1 | 11.2326; 8.025; 16.3653 90; 91.95; 90 | 1474.34 | Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F. (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl IUCrData, 2016, 1, x160505 |
| 1542981 | CIF HKL Paper | C50 H49 N O2 | P 1 21/c 1 | 19.155; 10.5762; 19.495 90; 92.382; 90 | 3946 | Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi 2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide IUCrData, 2016, 1, x160473 |
| 1542982 | CIF HKL Paper | C19 H14 N2 O S | P -1 | 9.7001; 12.1805; 13.866 75.99; 89.069; 87.074 | 1587.5 | Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz <i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide IUCrData, 2016, 1, x160471 |
| 1542983 | CIF HKL Paper | C23 H19 Cl N4 O2 S | C 1 2/c 1 | 15.794; 11.1864; 24.8212 90; 95.128; 90 | 4367.8 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. 2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide IUCrData, 2016, 1, x160453 |
| 1542984 | CIF HKL Paper | C28 H25 N3 O3 S | C 1 c 1 | 10.2254; 26.6695; 9.921 90; 110.718; 90 | 2530.56 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate IUCrData, 2016, 1, x160479 |
| 1542985 | CIF | C40 H68 Ca2 N16 O24 S4 | P 1 21 1 | 13.85; 15.604; 14.083 90; 90.44; 90 | 3043.5 | Sun, Jia; Xie, Chuang; Zhang, Xia; Bao, Ying; Hou, Baohong; Wang, Zhao; Gong, Junbo; Hao, Hongxun; Wang, Yongli; Wang, Jingkang; Yin, Qiuxiang Preparation and Dehydration Kinetics of Complex Sulfadiazine Calcium Hydrate with Both Channel-Type and Coordinated Water Organic Process Research & Development, 2016, 20, 780 |
| 1542986 | CIF | C342 H428 Cd24 Cl7 N24 Nd8 O128 | P n a 21 | 54.734; 27.619; 35.243 90; 90; 90 | 53277 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1542987 | CIF | C342 H428 Cd24 Cl7 N24 O128 Tb8 | P n a 21 | 54.106; 27.127; 34.876 90; 90; 90 | 51189 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1542988 | CIF | C56 H50 Br4 N8 Nd2 Ni4 O51.5 | P 1 21/c 1 | 15.462; 19.156; 19.871 90; 107.63; 90 | 5609 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1542989 | CIF | C28 H34 O8 | P 21 21 2 | 23.0058; 15.2127; 7.8037 90; 90; 90 | 2731.14 | Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity. Journal of agricultural and food chemistry, 2016, 64, 2298-2306 |
| 1542990 | CIF | C14 H9 F3 O S | P 1 21/c 1 | 5.701; 14.172; 16.101 90; 96.143; 90 | 1293.4 | Qiao, Zongjun; Jiang, Xuefeng Ligand-Controlled Divergent Cross-Coupling Involving Organosilicon Compounds for Thioether and Thioester Synthesis. Organic letters, 2016, 18, 1550-1553 |
| 1542991 | CIF | C39 H35 N O9 | P 1 21/n 1 | 11.535; 12.207; 24.328 90; 97.723; 90 | 3394.5 | Chen, Gang-Gang; Wei, Jun-Qiang; Yang, Xiaoliang; Yao, Zhu-Jun Convenient One-Step Synthesis of Benzo[c]phenanthridines by Three-Component Reactions of Isochromenylium Tetrafluoroborates and Stilbenes in Acetonitrile. Organic letters, 2016, 18, 1502-1505 |
| 1542992 | CIF | C19 H18 N2 O7 | P -1 | 8.1304; 10.1754; 12.5578 68.602; 84.781; 69.582 | 905.74 | Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF. Organic letters, 2016, 18, 1542-1545 |
| 1542993 | CIF | C28 H40 O4 Si | P 1 21/c 1 | 9.8904; 32.7758; 18.3035 90; 95.879; 90 | 5902.2 | Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF. Organic letters, 2016, 18, 1542-1545 |
| 1542994 | CIF | C15 H9 N3 S | P -1 | 9.1174; 11.1302; 12.8185 102.653; 96.246; 95.869 | 1250.97 | Baert, François; Cabanetos, Clément; Allain, Magali; Silvestre, Virginie; Leriche, Philippe; Blanchard, Philippe Thieno[2,3-b]indole-Based Small Push-Pull Chromophores: Synthesis, Structure, and Electronic Properties. Organic letters, 2016, 18, 1582-1585 |
| 1542995 | CIF | C24 H17 Br I N2 | P 1 21/n 1 | 12.496; 11.563; 13.831 90; 92.488; 90 | 1996.6 | Li, Ren-Hao; Ding, Cheng-Ke; Jiang, Ya-Nan; Ding, Zong-Cang; An, Xiao-Ming; Tang, Hai-Tao; Jing, Qi-Wei; Zhan, Zhuang-Ping Synthesis of 5,6-Dihydropyrazolo[5,1-a]isoquinolines through Indium(III)-Promoted Halocyclizations of N-Propargylic Sulfonylhydrazones. Organic letters, 2016, 18, 1666-1669 |
| 1542996 | CIF | C17 H13 F N2 O3 | P b c a | 7.3389; 15.6186; 23.534 90; 90; 90 | 2697.5 | Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds. Organic letters, 2016, 18, 1610-1613 |
| 1542997 | CIF | C21 H17 F3 N2 O3 | P 1 21/n 1 | 11.2431; 11.648; 28.604 90; 92.21; 90 | 3743.2 | Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds. Organic letters, 2016, 18, 1610-1613 |
| 1542998 | CIF | C22 H19 N O5 | P -1 | 9.534; 12.529; 17.309 85.64; 85.998; 68.912 | 1922 | Rao, Bin; Tang, Jinghua; Zeng, Xiaoming Synthesis of 2-Benzylphenyl Ketones by Aryne Insertion into Unactivated C-C Bonds. Organic letters, 2016, 18, 1678-1681 |
| 1542999 | CIF | C15 H15 Cl | P 21 21 21 | 7.122; 12.4596; 29.1959 90; 90; 90 | 2590.8 | Chen, Jianhui; Chen, Chenhui; Ji, Chonglei; Lu, Zhan Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes. Organic letters, 2016, 18, 1594-1597 |
| 1543000 | CIF | C21 H15 N S2 | P -1 | 9.1755; 10.6216; 10.7652 116.93; 104.318; 98.249 | 865.79 | Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides. Organic letters, 2016, 18, 1642-1645 |
| 1543001 | CIF | C16 H13 N O S2 | P 1 21/c 1 | 11.33; 7.224; 17.293 90; 98.28; 90 | 1400.6 | Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides. Organic letters, 2016, 18, 1642-1645 |
| 1543002 | CIF | C25 H23 Br O4 S | P -1 | 8.5565; 10.4912; 13.4305 103.093; 97.701; 100.077 | 1137.06 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543003 | CIF | C24 H21 Cl O3 S | C 1 2/c 1 | 17.1277; 11.8028; 22.7698 90; 108.933; 90 | 4354 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543004 | CIF | C25 H23 Br O2 S | P 1 21/c 1 | 16.3404; 12.2597; 11.1997 90; 106.631; 90 | 2149.76 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543005 | CIF | C23 H18 Br F O2 S | P 1 21/n 1 | 9.6011; 21.5757; 10.0691 90; 109.771; 90 | 1962.86 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543006 | CIF | C34 H24 Br2 F2 | P b c a | 8.29; 16.342; 39.875 90; 90; 90 | 5402 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543007 | CIF | C28 H23 Br O2 S | P 1 21/n 1 | 11.5248; 26.0897; 15.4151 90; 93.083; 90 | 4628.3 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543008 | CIF | C24 H21 Br O2 S | P -1 | 9.812; 10.5329; 11.5586 97.807; 101.735; 116.313 | 1013.06 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
| 1543009 | CIF | C17 H16 Br N O2 | P 1 21 1 | 10.1594; 11.9897; 12.8474 90; 107.684; 90 | 1490.97 | Zhao, Feng; Li, Nan; Zhu, Yi-Fan; Han, Zhi-Yong Enantioselective Construction of Functionalized Tetrahydrocarbazoles Enabled by Asymmetric Relay Catalysis of Gold Complex and Chiral Brønsted Acid. Organic letters, 2016, 18, 1506-1509 |
| 1543010 | CIF | C14 H29 N O2 Si | P -1 | 7.852; 8.477; 14.445 89.89; 75.96; 65.051 | 840.2 | Sasaki, Michiko; Ando, Masafumi; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei Spontaneous Oxygenation of Siloxy-N-silylketenimines to α-Ketoamides. Organic letters, 2016, 18, 1598-1601 |
| 1543011 | CIF | C22 H15 F3 O S | P 1 21/n 1 | 13.2577; 12.2802; 22.5646 90; 94.431; 90 | 3662.7 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
| 1543012 | CIF | C29 H20 F5 N O2 S2 | P b c a | 19.4188; 11.5902; 22.8272 90; 90; 90 | 5137.7 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
| 1543013 | CIF | C26 H17 F3 O S | P 1 21/n 1 | 10.9922; 34.479; 11.1612 90; 94.851; 90 | 4214.9 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
| 1543014 | CIF | C25 H20 Cl3 F3 O3 S | P 1 21/n 1 | 9.3849; 19.4808; 14.2431 90; 93.135; 90 | 2600.1 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
| 1543015 | CIF | C67 H86 Cl2 N4 O6 | P -1 | 10.6524; 11.9315; 23.654 96.938; 95.935; 92.1575 | 2964.6 | Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions. Organic letters, 2016, 18, 1570-1573 |
| 1543016 | CIF | C68 H89.2 F6 N4 O14.6 S2 Zn | P 1 21/c 1 | 17.5923; 26.1314; 19.613 90; 109.576; 90 | 8495.1 | Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions. Organic letters, 2016, 18, 1570-1573 |
| 1543017 | CIF | C24 H7 B F15 N | P n a 21 | 13.7574; 8.8592; 18.0333 90; 90; 90 | 2197.89 | Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers. Organic letters, 2016, 18, 1522-1525 |
| 1543018 | CIF | C20 H19 Cl N2 O7 | P 1 21/n 1 | 10.044; 17.0692; 12.0304 90; 95.588; 90 | 2052.7 | Xu, Wen-Qin; Chen, Min; Wang, Kun-Yao; Ren, Zheng-Jiao; Lu, Ai-Min; Yang, Chun-Long Synthesis, Characterization, and Antifungal Activity of Phenylpyrrole-Substituted Tetramic Acids Bearing Carbonates. Molecules (Basel, Switzerland), 2016, 21, 355 |
| 1543019 | CIF | C33 H35 Fe4 N2 O12 P | P 1 21/c 1 | 18.495; 10.4499; 20.683 90; 112.149; 90 | 3702.4 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1543020 | CIF | C41 H43 Fe4 N2 O12 P | I 1 2/a 1 | 25.63; 10.6233; 31.622 90; 95.408; 90 | 8571.6 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1543021 | CIF | C19 H18 O5 | P 41 21 2 | 8.2087; 8.2087; 44.2189 90; 90; 90 | 2979.59 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543022 | CIF | C20 H24 O4 | P 21 21 21 | 7.1625; 7.788; 28.9103 90; 90; 90 | 1612.66 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543023 | CIF | C20 H24 O5 | P 21 21 21 | 6.8416; 7.8031; 30.6323 90; 90; 90 | 1635.33 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543024 | CIF | C20 H24 O5 | P 21 21 21 | 8.2506; 11.8258; 16.5504 90; 90; 90 | 1614.82 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543025 | CIF | C19 H16 O4 | C 1 2 1 | 13.4613; 9.1617; 23.4678 90; 93.249; 90 | 2889.6 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543026 | CIF | C176.5 H153.4 B2 F8 N12 O8 Pd2 S2 | P -1 | 19.202; 20.734; 24.321 93.96; 108.19; 96.25 | 9090 | Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H. Internal dynamics and guest binding of a sterically overcrowded host Chem. Sci., 2016, 7, 4676 |
| 1543027 | CIF | C185 H173 B2 F8 N14 O6 Pd2 S2 | P -1 | 15.19; 18.168; 18.77 64.9; 79.12; 76.17 | 4532 | Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H. Internal dynamics and guest binding of a sterically overcrowded host Chem. Sci., 2016, 7, 4676 |
| 1543028 | CIF | C192 H177 Fe2 N12 O15 Pd2 S4 | P -1 | 18; 24.665; 25.221 109.16; 97.62; 100.3 | 10184 | Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H. Internal dynamics and guest binding of a sterically overcrowded host Chem. Sci., 2016, 7, 4676 |
| 1543029 | CIF | C172 H164 B4 F16 N12 Pd2 | P -1 | 16.196; 16.375; 17.065 74.2; 62.65; 71.79 | 3773.9 | Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H. Internal dynamics and guest binding of a sterically overcrowded host Chem. Sci., 2016, 7, 4676 |
| 1543030 | CIF | C10 H12 B N O4 S | P 1 | 5.8323; 6.989; 13.7431 97.28; 98.85; 91.576 | 548.43 | Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation. Chemical science, 2016, 7, 4589-4593 |
| 1543031 | CIF | O12 Pb3 Sr5 Zn | P -6 2 m | 10.1277; 10.1277; 3.53488 90; 90; 120 | 313.998 | Winiarski, M.J.; Szreder, N.A.; Barczynski, R.J.; Klimczuk, T. Synthesis, single crystal growth and properties of Sr5Pb3ZnO12 Journal of Alloys and Compounds, 2014, 617, 63-68 |
| 1543032 | CIF HKL | C24 H33 Eu N6 O6 S3 | P -1 | 11.0205; 11.8811; 12.7312 100.933; 109.704; 101.161 | 1479.88 | N.N. Golovnev; M.S. Molokeev; S.N. Vereshchagin Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)} Journal of Structural Chemistry, 2016, 57, 167-174 |
| 1543033 | CIF | C69 H45 Ir N6 | 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 |
| 1543034 | CIF | C24 H49 N O2 Si | P 1 21 1 | 9.6625; 21.1407; 13.3829 90; 95.786; 90 | 2719.82 | Guignard, Guillaume; Llor, Núria; Molins, Elies; Bosch, Joan; Amat, Mercedes Enantioselective Total Synthesis of Fluvirucinin B1. Organic letters, 2016, 18, 1788-1791 |
| 1543035 | CIF | C30 H35 N3 O2 | P 1 21 1 | 7.2253; 13.6771; 12.9015 90; 103.485; 90 | 1239.79 | Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells. Organic letters, 2016, 18, 1816-1819 |
| 1543036 | CIF | C10 H14 N O2.5 | P 1 21 1 | 7.9708; 10.4075; 11.9312 90; 95.083; 90 | 985.87 | Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells. Organic letters, 2016, 18, 1816-1819 |
| 1543037 | CIF HKL Paper | C17 H24 Cl N7 O7 Pt | P 1 21/c 1 | 7.6398; 10.8372; 25.982 90; 92.478; 90 | 2149.1 | Cheun, Young; Lee, Seongmin <i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate IUCrData, 2016, 1, x160481 |
| 1543038 | CIF HKL Paper | C27 H19 Cl N2 O | P n a 21 | 14.824; 8.2946; 16.924 90; 90; 90 | 2081 | Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu 1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one IUCrData, 2016, 1, x160529 |
| 1543039 | CIF HKL Paper | C22 H20 N2 O4 | P b c a | 15.1498; 7.4949; 16.4795 90; 90; 90 | 1871.19 | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) IUCrData, 2016, 1, x160542 |
| 1543040 | CIF HKL Paper | C24 H20 N4 O2 S | P b c a | 9.8513; 15.0619; 28.931 90; 90; 90 | 4292.76 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R. 5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile IUCrData, 2016, 1, x160492 |
| 1543041 | CIF HKL Paper | C16 H13 Cl N2 O2 S | P -1 | 5.9498; 8.0999; 16.3919 85.99; 81.41; 82.294 | 773.05 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate IUCrData, 2016, 1, x160531 |
| 1543042 | CIF HKL | C30 H42 N4 O2 Pd S4 | P -1 | 4.54371; 11.6697; 15.5677 90.8429; 98.1733; 100.344 | 803.11 | Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R. Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II) IUCrData, 2016, 1, x160521 |
| 1543043 | CIF HKL Paper | C23 H32 Cl2 O3 S | P 21 21 21 | 9.41; 9.667; 25.285 90; 90; 90 | 2300.1 | Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate IUCrData, 2016, 1, x160422 |
| 1543044 | CIF | C50 H39 Cl10 N7 O8 Ru | P n a 21 | 16.7707; 12.8886; 24.1907 90; 90; 90 | 5228.8 | Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method Chem. Sci., 2016, 7, 4016 |
| 1543045 | CIF | C14 H12 N4 O2 | P c a 21 | 29.815; 4.718; 8.617 90; 90; 90 | 1212.1 | Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity. Journal of natural products, 2016, 79, 1219-1222 |
| 1543046 | CIF | C14 H12 N4 O2 | P 1 21/n 1 | 5.5805; 8.5947; 25.896 90; 93.211; 90 | 1240.09 | Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity. Journal of natural products, 2016, 79, 1219-1222 |
| 1543047 | CIF | C14 H12 N4 O2 | P 1 21/c 1 | 11.0776; 15.1099; 7.6255 90; 108; 90 | 1213.9 | Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity. Journal of natural products, 2016, 79, 1219-1222 |
| 1543048 | CIF | C23 H24 N4 O3 | P 1 21/n 1 | 8.725; 21.909; 11.242 90; 97.7; 90 | 2129.6 | Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A. Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives. Organic letters, 2016, 18, 1940-1943 |
| 1543049 | CIF | C22 H26 N4 O4 S | P -1 | 9.0546; 11.0539; 12.5393 82.698; 74.104; 71.775 | 1145.32 | Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A. Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives. Organic letters, 2016, 18, 1940-1943 |
| 1543050 | CIF | C17 H20 N4 O2 | P -1 | 11.3656; 11.969; 13.0198 80.827; 85.462; 76.099 | 1695.75 | Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A. Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives. Organic letters, 2016, 18, 1940-1943 |
| 1543051 | CIF HKL | C6 H12 O6 | P 21/n | 11.58792; 12.2101; 5.25364 90; 90.5649; 90 | 743.3 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543052 | CIF HKL | C6 H12 O6 | P b c a | 14.1313; 11.0757; 9.36191 90; 90; 90 | 1465.27 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543053 | CIF HKL | C6 H12 O6 | P 21 21 21 | 14.01476; 11.03782; 9.33193 90; 90; 90 | 1443.58 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
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