Crystallography Open Database
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Searching space group like 'P c a 21'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1547809 | CIF Paper | C13 H9 Cl2 N3 O2 | P c a 21 | 15.441; 8.3179; 10.6014 90; 90; 90 | 1361.6 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
1547899 | CIF | C16 H40 Al2 Cl10 Mg2 O8 | P c a 21 | 26.523; 7.284; 19.1745 90; 90; 90 | 3704.4 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547903 | CIF | C22 H15 O P | P c a 21 | 19.497; 7.603; 11.664 90; 90; 90 | 1729 | Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P. Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties Macromolecules, 2017, 50, 8916 |
1548066 | CIF | C16 H39 Al2 Cl10 Mg2 O8 | P c a 21 | 26.533; 7.3366; 19.239 90; 90; 90 | 3745.1 | Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery Energy & Environmental Science, 2017 |
1548337 | CIF | C4 H3 N3 O4 Zn | P c a 21 | 14.268; 4.5707; 10.746 90; 90; 90 | 700.8 | Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications, 2013, 4, 2684 |
1548488 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.5175; 13.082; 13.0989 90; 90; 90 | 2145 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548489 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 11.9968; 12.5527; 12.8642 90; 90; 90 | 1937.2 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548490 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 11.9924; 12.5546; 12.8611 90; 90; 90 | 1936.4 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548491 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.3181; 12.8429; 13.038 90; 90; 90 | 2062.61 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548492 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.2089; 12.7469; 12.9686 90; 90; 90 | 2018.2 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548647 | CIF | C H12 B11 Li | P c a 21 | 9.6668; 9.4892; 9.7273 90; 90; 90 | 892.29 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
1548648 | CIF | C H12 B11 Na | P c a 21 | 9.7821; 9.6254; 10.0928 90; 90; 90 | 950.3 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
1548752 | CIF | C34 H33 F4 Mg N3 | P c a 21 | 24.8934; 13.45834; 18.5282 90; 90; 90 | 6207.39 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
1549088 | CIF | C43 H54 B2 | P c a 21 | 41.344; 14.272; 6.1349 90; 90; 90 | 3620 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
1549239 | CIF | C20 H25 N O5 S | P c a 21 | 11.7592; 10.1198; 32.161 90; 90; 90 | 3827.2 | Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement. Chemical science, 2018, 9, 4124-4131 |
1549368 | CIF | C62 H48 Co F N4 O4 | P c a 21 | 21.495; 13.598; 16.434 90; 90; 90 | 4803.5 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
1549373 | CIF | C22 H17 N O9 | P c a 21 | 7.0231; 17.534; 14.6817 90; 90; 90 | 1807.9 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
1549524 | CIF | H6 N4 Ni O6 | P c a 21 | 11.0628; 6.0454; 9.3526 90; 90; 90 | 625.49 | Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H. Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate Inorganics, 2018, 6 |
1549675 | CIF HKL Paper | C17 H13 N5 O | P c a 21 | 23.5234; 10.5928; 23.4895 90; 90; 90 | 5853.1 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole IUCrData, 2018, 3, x180966 |
1549687 | CIF | C26 H17 Br2 N3 | P c a 21 | 25.043; 10.3564; 8.256 90; 90; 90 | 2141.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
1549948 | CIF | C10 H12 N2 | P c a 21 | 9.0006; 20.7778; 9.7487 90; 90; 90 | 1823.13 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
1550153 | CIF | C49 H60 B2 Co F8 N5 Ni P2 S2 | P c a 21 | 21.9622; 11.6996; 20.9046 90; 90; 90 | 5371.4 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
1550564 | CIF | C33 H59 Cu4 N3 | P c a 21 | 11.2175; 15.925; 18.9824 90; 90; 90 | 3391 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1551172 | CIF | C24 H42 Cl5 F3 N4 O3 P2 S | P c a 21 | 11.51562; 10.67077; 29.25903 90; 90; 90 | 3595.37 | Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC) Chemical Science, 2019 |
1551244 | CIF HKL Paper | C13 H10 I N O | P c a 21 | 7.0848; 26.422; 6.2664 90; 90; 90 | 1173 | Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. (E)-4-Iodo-2-[(phenylimino)methyl]phenol IUCrData, 2019, 4 |
1551395 | CIF | C14 H31 Cl N5 Ni O6 | P c a 21 | 17.8908; 7.3739; 15.4074 90; 90; 90 | 2032.6 | Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex Nature Chemistry, 2009, 1, 568-572 |
1551404 | CIF HKL | C31 H34 F6 N6 O9 S2 Zn | P c a 21 | 16.6985; 12.4092; 17.7201 90; 90; 90 | 3671.9 | Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith Superoxide dismutase activity enabled by a redox-active ligand rather than metal Nature Chemistry, 2018, 10, 1207-1212 |
1551605 | CIF | C66 H82 B2 N6 O6 Zn | P c a 21 | 30.231; 9.2503; 22.083 90; 90; 90 | 6175.4 | ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi Crystal Structure of a Trigonally Compressed Hexakis-DMF Zinc(II) Complex X-ray Structure Analysis Online, 2016, 32, 21 |
1551606 | CIF | C24 H27 B Ge O2 | P c a 21 | 16.669; 9.933; 26.907 90; 90; 90 | 4455.1 | BOWES, Eric G.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. Synthesis and Molecular Structure of Ph<sub>3</sub>GeBO<sub>2</sub>C<sub>2</sub>Me<sub>4</sub> X-ray Structure Analysis Online, 2016, 32, 35 |
1551670 | CIF | C88 H108 B3 Ce O8 S8 | P c a 21 | 27.657; 23.834; 26.529 90; 90; 90 | 17487 | SAKIYAMA, Hiroshi; YUZAWA, Hidetaka; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Structural Feature of an Octakis-DMSO Cerium(III) Complex: Tetragonal Antiprismatic Coordination Geometry along the <i>c</i> Axis X-ray Structure Analysis Online, 2014, 30, 19 |
1551724 | CIF | C66 H82 B2 N6 Ni O6 | P c a 21 | 30.2714; 9.26438; 22.0462 90; 90; 90 | 6182.76 | YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group X-ray Structure Analysis Online, 2011, 27, 71 |
1551969 | CIF | C6 H8 O4 | P c a 21 | 11.166; 12.913; 8.653 90; 90; 90 | 1247.6 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
1552143 | CIF HKL Paper | C9 H6 O4 Zn | P c a 21 | 9.6314; 4.8612; 17.269 90; 90; 90 | 808.54 | Jia, Jason; LaDuca, Robert L. Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)] IUCrData, 2019, 4, x191014 |
1552292 | CIF Paper | C13 H11 N O | P c a 21 | 23.354; 5.6449; 7.7373 90; 90; 90 | 1020 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
1552320 | CIF | C32.5 H9.5 Cl1.5 F10 N3 O2 Pt | P c a 21 | 12.2124; 14.5258; 32.7959 90; 90; 90 | 5817.8 | Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability Chemical Science, 2019 |
1552375 | CIF | C12 Al Cl3 F28 O3 Se | P c a 21 | 17.32; 14.8685; 10.2605 90; 90; 90 | 2642.3 | Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase Chemical Science, 2019 |
1552416 | CIF | C29 H36 Cl F6 Ir O P2 | P c a 21 | 17.83; 10.25; 16.89 90; 90; 90 | 3087 | Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua One-pot syntheses of irida-polycyclic aromatic hydrocarbons Chemical Science, 2019 |
1552838 | CIF | C63 H55 Cl N2 Pd S4 | P c a 21 | 24.121; 9.6946; 25.198 90; 90; 90 | 5892.4 | Na, Yinna; Dai, Shengyu; Chen, Changle Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE) Macromolecules, 2018, 51, 4040 |
1553075 | CIF | C9 H9 N7 O | P c a 21 | 9.9162; 14.8123; 7.3118 90; 90; 90 | 1073.97 | Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles Organic Chemistry Frontiers, 2015, 2, 492 |
1553432 | CIF | C23 H15 Cl3 N2 O2 | P c a 21 | 7.7032; 16.441; 14.9629 90; 90; 90 | 1895 | Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling Organic Chemistry Frontiers, 2016, 3, 799 |
1553502 | CIF | C22 H13 N S | P c a 21 | 16.3471; 11.2916; 8.0242 90; 90; 90 | 1481.15 | Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling Organic Chemistry Frontiers, 2016, 3, 1520 |
1553779 | CIF | C21 H16 N2 O3 | P c a 21 | 11.0348; 21.2718; 7.2221 90; 90; 90 | 1695.2 | Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones Organic Chemistry Frontiers, 2017, 4, 1513 |
1553822 | CIF | C19 H15 N3 O4 | P c a 21 | 16.2553; 8.3116; 24.8996 90; 90; 90 | 3364.12 | Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O. Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis Organic Chemistry Frontiers, 2017, 4, 1947 |
1554036 | CIF | C11 H5 N2 O5 a | P c a 21 | 32.1; 4.1188; 9.6966 90; 90; 90 | 1282.02 | Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L. Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study. The journal of physical chemistry. B, 2015, 119, 10466-10477 |
1554245 | CIF | C29 H20 N2 | P c a 21 | 8.7745; 11.508; 20.298 90; 90; 90 | 2049.6 | Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers, 2019, 3, 284 |
1554246 | CIF | C29 H23 N O | P c a 21 | 45.21; 6.1483; 7.449 90; 90; 90 | 2070.6 | Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers, 2019, 3, 284 |
1554280 | CIF | C20 H14 N2 O2 | P c a 21 | 16.9028; 16.5253; 9.9901 90; 90; 90 | 2790.5 | Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers, 2018, 5, 1679 |
1554282 | CIF | C20 H16 N2 O2 | P c a 21 | 17.23; 8.7235; 9.6499 90; 90; 90 | 1450.4 | Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers, 2018, 5, 1679 |
1554295 | CIF | C44 H44 Cl2 N2 O6 S | P c a 21 | 18.1688; 18.3501; 11.8464 90; 90; 90 | 3949.6 | Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines Organic Chemistry Frontiers, 2018, 5, 2020 |
1554532 | CIF | C19 H15 N O3 | P c a 21 | 14.3845; 4.3448; 23.199 90; 90; 90 | 1449.9 | Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides Organic Chemistry Frontiers, 2019, 6, 226 |
1554536 | CIF | C20 H15 Br2 N O2 | P c a 21 | 7.0667; 23.0878; 21.9663 90; 90; 90 | 3583.9 | Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines Organic Chemistry Frontiers, 2019, 6, 468 |
1554794 | CIF | C19 H24 N2 O | P c a 21 | 12.8993; 10.853; 11.6466 90; 90; 90 | 1630.5 | Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond. Organic letters, 2015, 17, 1200-1203 |
1554976 | CIF | C15 H13 N3 | P c a 21 | 12.9687; 13.0705; 7.18 90; 90; 90 | 1217.06 | Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons Organic Chemistry Frontiers, 2019, 6, 3071 |
1555056 | CIF | C21 H22 O11 | P c a 21 | 8.33914; 13.29606; 18.06836 90; 90; 90 | 2003.38 | Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens Organic Chemistry Frontiers, 2019, 6, 3274 |
1555085 | CIF | C3.38 H1.96 Cl0.18 F1.6 N0 O0.18 | P c a 21 | 11.543; 10.4; 32.618 90; 90; 90 | 3916 | He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers Organic Chemistry Frontiers, 2019, 6, 3575 |
1555105 | CIF | C8 H10 O4 | P c a 21 | 10.571; 5.838; 12.338 90; 90; 90 | 761.4 | Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks. Organic letters, 2015, 17, 3604-3607 |
1555320 | CIF | C21 H17 N | P c a 21 | 20.9818; 8.85852; 8.04013 90; 90; 90 | 1494.4 | Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions. Organic letters, 2015, 17, 4862-4865 |
1555425 | CIF | C39 H46 N2 Si2 | P c a 21 | 13.9869; 12.5966; 19.4789 90; 90; 90 | 3431.9 | Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases. Organic letters, 2015, 17, 6154-6157 |
1555578 | CIF | C24 H19 N0.25 O3 | P c a 21 | 20.6513; 5.9284; 14.7885 90; 90; 90 | 1810.5 | Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun [3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides. Organic letters, 2016, 18, 2738-2741 |
1555846 | CIF | C22 H22 O7 | P c a 21 | 15.8269; 5.82087; 20.8138 90; 90; 90 | 1917.5 | Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization. Organic letters, 2016, 18, 5170-5173 |
1556432 | CIF | C33 H26 N2 O3 | P c a 21 | 19.195; 8.503; 30.611 90; 90; 90 | 4996.2 | Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y. Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands Inorganics, 2019, 7, 109 |
1556437 | CIF | C22 H44 Co N4 Si4 | P c a 21 | 18.7674; 18.103; 17.593 90; 90; 90 | 5977.2 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
1556443 | CIF | C22 H44 N4 Si4 Zn | P c a 21 | 18.8806; 18.056; 17.6133 90; 90; 90 | 6004.5 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
1556664 | CIF | C24 H37 B4 Cr O4 W2 | P c a 21 | 23.323; 14.555; 17.009 90; 90; 90 | 5774 | Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S. Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond Inorganics, 2019, 7, 27 |
1556682 | CIF | C15 H33 B10 Cl Ge N2 | P c a 21 | 16.166; 11.279; 12.294 90; 90; 90 | 2241.6 | Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T. Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates Inorganics, 2019, 7, 41 |
1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
1557057 | CIF | C22 H27 B O2 | P c a 21 | 25.447; 6.3811; 24.281 90; 90; 90 | 3942.7 | Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497 |
1557253 | CIF | C54 H99 Am Br3 O3 P3 | P c a 21 | 28.768; 11.456; 18.185 90; 90; 90 | 5993 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557254 | CIF | C54 H99 Br3 Nd O3 P3 | P c a 21 | 28.7058; 11.4228; 18.1359 90; 90; 90 | 5946.8 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557255 | CIF | C54 H99 Br3 Ce O3 P3 | P c a 21 | 28.92; 11.434; 18.209 90; 90; 90 | 6021.2 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557256 | CIF | C54 H99 Br3 La O3 P3 | P c a 21 | 28.879; 11.4223; 18.2083 90; 90; 90 | 6006.3 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557257 | CIF | C54 H99 Br3 O3 P3 Pr | P c a 21 | 28.7155; 11.4126; 18.1299 90; 90; 90 | 5941.5 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557400 | CIF | C22 H26 B Br O2 | P c a 21 | 20.7096; 6.4384; 15.5735 90; 90; 90 | 2076.52 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
1557427 | CIF | C19 H33 Cl2 N O10 | P c a 21 | 17.5144; 22.5809; 11.9905 90; 90; 90 | 4742.13 | Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020 |
1557554 | CIF | C13 H8 N4 O9 | P c a 21 | 12.16; 8.519; 27.78 90; 90; 90 | 2877.8 | Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R. Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran Acta Chemica Scandinavica, 1996, 50, 587-595 |
1557852 | CIF | C13 H14 O6 S | P c a 21 | 18; 9.537; 7.754 90; 90; 90 | 1331.1 | Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp. Journal of natural products, 2020 |
1558441 | CIF | C11 H16 O3 S | P c a 21 | 11.942; 5.399; 17.503 90; 90; 90 | 1128.5 | Koskimies, Jorma; Uggla, Rolf; Sundberg, Markku R. A Sulfur-Stabilized Enol Acta Chemica Scandinavica, 1994, 48, 417-422 |
1558536 | CIF | C18 H16 O2 Te | P c a 21 | 18.4073; 13.2209; 6.2891 90; 90; 90 | 1530.5 | Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer Polymer Chemistry, 2020, 11, 4693-4698 |
1558540 | CIF | C19 H21 Cl2 N Ru | P c a 21 | 7.1672; 13.7037; 17.9697 90; 90; 90 | 1764.93 | Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram One-pot dual catalysis for the hydrogenation of heteroarenes and arenes Catalysis Science & Technology, 2020, 10, 5163-5170 |
1558770 | CIF | C21 H28 B N | P c a 21 | 12.67; 11.135; 13.004 90; 90; 90 | 1834.6 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
1558778 | CIF | C28 H51 B Cl N P Rh | P c a 21 | 21.577; 8.0109; 34.845 90; 90; 90 | 6023 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
1558877 | CIF | C212 H260 N20 O76 Zn8 | P c a 21 | 36.4926; 14.6058; 45.4204 90; 90; 90 | 24209.2 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1558959 | CIF | C13 H24 B10 | P c a 21 | 18.2149; 8.1437; 12.0108 90; 90; 90 | 1781.64 | Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020 |
1559139 | CIF | C45 H50 Cu F3 N6 O2 | P c a 21 | 19.77529; 13.53091; 15.04125 90; 90; 90 | 4024.7 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
1559140 | CIF | C44 H50 Cu F3 N6 O3 S | P c a 21 | 20.1211; 13.39232; 15.13962 90; 90; 90 | 4079.65 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
1559270 | CIF | C54 H77.78 B2 Ir2 O2 P4 | P c a 21 | 18.4602; 18.1913; 16.0356 90; 90; 90 | 5385 | Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020 |
1559408 | CIF HKL | C12 H10 O6 | P c a 21 | 25.006; 5.0337; 8.5646 90; 90; 90 | 1078.05 | Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen (8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework IUCrData, 2020, 5, x201391 |
1559548 | CIF | C13 H15 Br F N O | P c a 21 | 16.2421; 5.0967; 30.102 90; 90; 90 | 2491.9 | Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T. Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation Organic Process Research & Development, 2020 |
1559711 | CIF | C17 H17 I O | P c a 21 | 13.569; 14.2212; 7.5004 90; 90; 90 | 1447.33 | BLANGETTI, Marco; O’SHEA, Donal F. Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality X-ray Structure Analysis Online, 2020, 36, 45-46 |
1559739 | CIF | C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 | P c a 21 | 18.079; 30.1771; 14.9963 90; 90; 90 | 8181.6 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
1559841 | CIF | B9 Dy7 K3 Li3 O27 | P c a 21 | 20.8225; 6.4118; 17.4976 90; 90; 90 | 2336.1 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
1559842 | CIF | B9 K3 Li3 O27 Tb7 | P c a 21 | 20.9218; 6.442; 17.5285 90; 90; 90 | 2362.46 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
1560190 | CIF | C9 H11 N O3 | P c a 21 | 10.2859; 10.6455; 7.6374 90; 90; 90 | 836.28 | Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779 |
1560236 | CIF | C32 H43 Ba N6 O11 S2 | P c a 21 | 17.6827; 10.4422; 22.5408 90; 90; 90 | 4162.08 | Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J. Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand Chemical Science, 2021, 12, 3733-3742 |
1560249 | CIF | C38 H44 O P2 | P c a 21 | 11.3956; 15.6766; 18.1208 90; 90; 90 | 3237.18 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560298 | CIF | C22 H21 B F2 N2 O2 | P c a 21 | 12.6493; 9.244; 18.0005 90; 90; 90 | 2104.8 | Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates Chemical Science, 2021, 12, 4503-4508 |
1560409 | CIF | B9 K3 Li3 O27 Y7 | P c a 21 | 20.7431; 6.3873; 17.4741 90; 90; 90 | 2315.19 | Bräuchle, Sebastian; Huppertz, Hubert Synthesis and structural characterization of Li3K3Y7(BO3)9 Journal of Solid State Chemistry, 2017, 253, 242-248 |
1560484 | CIF | H O5 Te V | P c a 21 | 11.0445; 7.008; 4.9633 90; 90; 90 | 384.16 | Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 ) Journal of Solid State Chemistry, 2017, 249, 21-26 |
1560486 | CIF | C26 H16 F4 N2 O2 | P c a 21 | 23.488; 13.488; 6.8185 90; 90; 90 | 2160.1 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
1560720 | CIF | C42 H48 N8 S6 | P c a 21 | 14.1011; 14.1412; 41.847 90; 90; 90 | 8344.6 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
1561228 | CIF | C116 H148 Ba2 O11 Sn4 | P c a 21 | 17.2099; 35.155; 18.6605 90; 90; 90 | 11289.9 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561302 | CIF | C18 H16 N6 O6 Zn2 | P c a 21 | 13.2837; 13.6926; 11.261 90; 90; 90 | 2048.25 | Feng, Chao; Zhao, Hong; Li, Zong-Qun Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net Journal of Solid State Chemistry, 2018, 258, 841-844 |
1561716 | CIF | C29 H22 F6 N2 O7 Zn | P c a 21 | 7.1037; 12.7915; 31.132 90; 90; 90 | 2828.9 | Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties Journal of Solid State Chemistry, 2015, 231, 70-79 |
1562088 | CIF | C24 H38 Cd N2 O7 | P c a 21 | 18.2988; 8.929; 15.5317 90; 90; 90 | 2537.72 | Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids Journal of Solid State Chemistry, 2015, 223, 44-52 |
1562158 | CIF | C50 H37 Cd2 N6 O11.5 S | P c a 21 | 14.429; 17.916; 17.441 90; 90; 90 | 4508.7 | Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics Journal of Solid State Chemistry, 2015, 221, 345-350 |
1562159 | CIF | C50 H35.5 Mn2 N6 O10.75 S | P c a 21 | 14.424; 17.798; 17.195 90; 90; 90 | 4414.3 | Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics Journal of Solid State Chemistry, 2015, 221, 345-350 |
1562581 | CIF | C24 H64 N3 O15 P5 Zn4 | P c a 21 | 23.1337; 13.6375; 14.1822 90; 90; 90 | 4474.3 | Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles Journal of Solid State Chemistry, 2013, 204, 16-20 |
1563271 | CIF | F2 Ga H2 I O4 | P c a 21 | 13.9538; 6.9261; 4.7629 90; 90; 90 | 460.31 | Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Lin, Yuan; Chen, Jin; Li, Bing-Xuan; Mao, Jiang-Gao [GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution Chemical Science, 2021 |
1563595 | CIF | C36 H51 N Ni P2 | P c a 21 | 10.849; 16.888; 18.019 90; 90; 90 | 3301.4 | Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds Chemical Science, 2021 |
1563596 | CIF | C35 H49 N Ni P2 | P c a 21 | 17.2049; 18.875; 10.0825 90; 90; 90 | 3274.2 | Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds Chemical Science, 2021 |
1563599 | CIF | C36 H51 N Ni P2 | P c a 21 | 17.416; 19.138; 10.025 90; 90; 90 | 3341 | Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds Chemical Science, 2021 |
1564005 | CIF | C18 H24 Bi2 Br2 Cl9 N3 | P c a 21 | 14.4154; 10.4109; 21.8501 90; 90; 90 | 3279.2 | Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Fedin, Vladimir P.; Sokolov, Maxim N.; Adonin, Sergey A. Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl⋯Br interactions in (1-MePy)3{[Bi2Cl9](Br2)} Inorganica Chimica Acta, 2020, 513, 119932 |
1564207 | CIF | C22 H28 N4 Ni O4 | P c a 21 | 13.866; 14.341; 23.383 90; 90; 90 | 4649.8 | Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G. Nickel-mediated N–N bond formation and N2O liberation via nitrogen oxyanion reduction Chemical Science, 2021 |
1564315 | CIF | C7 H7 N3 O3 | P c a 21 | 10.2828; 9.526; 7.9993 90; 90; 90 | 783.6 | Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ. The journal of physical chemistry. A, 2021, 125, 6697-6702 |
1564660 | CIF | C31 H29 Cl N4 O | P c a 21 | 17.7597; 14.3832; 10.4096 90; 90; 90 | 2659.04 | Wong, Jeff Yuk Fung; Thomson, Christopher; Vilela, Filipe; Barker, Graeme Flash Chemistry Enables High Productivity Metalation-Substitution of 5-Alkyltetrazoles Chemical Science, 2021 |
1564663 | CIF | C41.5 H36 Cl N O2 | P c a 21 | 24.5244; 25.6507; 10.3465 90; 90; 90 | 6508.7 | Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis Chemical Science, 2021, 12, 11821-11830 |
1564685 | CIF | C21 H15 F3 | P c a 21 | 31.9; 8.761; 5.796 90; 90; 90 | 1620 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
1564697 | CIF | C15 H16 O5 | P c a 21 | 14.0413; 7.0334; 27.4163 90; 90; 90 | 2707.58 | Haughey, Maxwell B.; Christensen, Kirsten E.; Poole, Darren L.; Donohoe, Timothy J. Development of an enolate alkynylation approach towards the synthesis of the taiwanschirin natural products Chemical Science, 2021 |
1565103 | CIF | C16 H17 Cl2 F6 I N2 O6 S2 | P c a 21 | 27.0219; 9.8218; 18.6325 90; 90; 90 | 4945.13 | Bakro, Aseel; Sharp-Bucknall, Lachlan; Poynder, Tiffany B.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L. Lewis acid activation of Weiss’ reagents ([PhI(Pyr) <sub>2</sub> ] <sup>2+</sup> ) with boranes and isolation of [PhI(4-DMAP)] <sup>2+</sup> Chemical Communications, 2021, 57, 12163-12166 |
1565471 | CIF | C7 H5 Ag F N O2 | P c a 21 | 24.842; 4.931; 5.9195 90; 90; 90 | 725.1 | Manzano, Carlos M.; Nakahata, Douglas H.; Tenorio, Juan C.; Lustri, Wilton R.; Resende Nogueira, Flávia A.; Aleixo, Nadia A.; da Silva Gomes, Pietra S.; Pavan, Fernando R.; Grecco, Julia A.; Ribeiro, Camila M.; Corbi, Pedro P. Silver complexes with fluoroanthranilic acid isomers: Spectroscopic characterization, antimycobacterial activity and cytotoxic studies over a panel of tumor cells Inorganica Chimica Acta, 2020, 502, 119293 |
1565720 | CIF HKL | C32 H28 F12 O4 P2 S4 U | P c a 21 | 16.5607; 8.1303; 59.7044 90; 90; 90 | 8038.8 | Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory Journal of Synchrotron Radiation, 2022, 29, 11-20 |
1565972 | CIF | C20 H13 B Br N | P c a 21 | 22.958; 9.4271; 7.0146 90; 90; 90 | 1518.15 | Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science, 2022, 13, 1136-1145 |
1565977 | CIF | C52 H117 F2 N3 O32 V12 | P c a 21 | 17.199; 21.6914; 54.059 90; 90; 90 | 20167.8 | Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species Catalysis Science & Technology, 2022, 12, 2438-2445 |
1566000 | CIF | C26 H50 B2 Na Nd O7 | P c a 21 | 24.842; 14.238; 18.216 90; 90; 90 | 6443 | Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta, 2022, 529, 120638 |
1566042 | CIF | C54 H36 F9 N2 O6 Pr | P c a 21 | 20.1848; 11.9034; 19.6102 90; 90; 90 | 4711.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
1566663 | CIF | C36 H37 K N3 O3 P2 Ru S | P c a 21 | 12.6529; 18.7504; 15.5836 90; 90; 90 | 3697.2 | Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A. Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation Catalysis Science & Technology, 2022, 12, 2972-2977 |
1566811 | CIF | C15 H11 B N4 | P c a 21 | 15.4138; 5.2751; 15.4456 90; 90; 90 | 1255.87 | Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission Chemical Science, 2022 |
1566940 | CIF | C71 H116 O3 Tm2 | P c a 21 | 21.251; 10.8765; 28.794 90; 90; 90 | 6655.3 | Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022 |
1567271 | CIF | Bi O6 W | P c a 21 | 5.4718; 16.3253; 5.4616 90; 90; 90 | 487.88 | Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y. Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation Materials Research Bulletin, 2022, 147, 111639 |
1567282 | CIF | C38 H31 N3 O S2 | P c a 21 | 40.9226; 6.2134; 11.86 90; 90; 90 | 3015.62 | Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides Chemical Science, 2022 |
1567310 | CIF | C30 H28 O2 S | P c a 21 | 19.7648; 7.4276; 16.1962 90; 90; 90 | 2377.7 | Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606 |
1567802 | CIF | C112 H182 Au22 Cl2 P2 S14 | P c a 21 | 33.411; 16.475; 54.849 90; 90; 90 | 30191.4 | Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters Nanoscale, 2022 |
1567865 | CIF | F6 H8 Hf N2 | P c a 21 | 13.3902; 7.685; 11.6731 90; 90; 90 | 1201.21 | Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Davidovich, R. L.; Antokhina, T. F. Complex Ions in Ammonium Hexafluorohafnate: Crystal Structure and Internal Dynamics Russian Journal of Coordination Chemistry, 2002, 28, 630-635 |
1567950 | CIF | C82 H81 B F20 N2 O Si U | P c a 21 | 26.661; 15.845; 19.116 90; 90; 90 | 8075 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
1567952 | CIF | C87 H83 B F22 N2 O Si U | P c a 21 | 26.5251; 15.7375; 18.8824 90; 90; 90 | 7882.2 | Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F. Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Chemical Science, 2022 |
1568240 | CIF | C7 H8 N4 O3 Se | P c a 21 | 21.779; 3.8696; 24.33 90; 90; 90 | 2050.4 | Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions, 2023, 244, 77-95 |
1568354 | CIF | C60 H46 Cl6 N4 O8 | P c a 21 | 14.475; 22.912; 31.837 90; 90; 90 | 10558.8 | Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs. Chemical science, 2023, 14, 3147-3153 |
1568362 | CIF | C11 H15 F6 N3 O4 S2 | P c a 21 | 18.1649; 8.3747; 23.0541 90; 90; 90 | 3507.12 | Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides. Chemical science, 2023, 14, 2200-2214 |
1568561 | CIF | C16 H28 Cl N3 O6 Ru | P c a 21 | 10.1596; 11.7047; 16.363 90; 90; 90 | 1945.8 | Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol Catalysis Science & Technology, 2023, 13, 2160-2183 |
1568821 | CIF | C20 H12 N2 | P c a 21 | 7.8557; 9.7053; 38.6997 90; 90; 90 | 2950.54 | Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J. Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits. Nanoscale, 2023, 15, 10573-10583 |
1568863 | CIF | C94 H136 Ca Mg N4 | P c a 21 | 21.5514; 13.0869; 29.0951 90; 90; 90 | 8206 | Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd On the existence of low-valent magnesium-calcium complexes. Chemical science, 2023, 14, 4724-4734 |
1568901 | CIF | C19 H36 N2 Se | P c a 21 | 32.8739; 10.3807; 12.109 90; 90; 90 | 4132.2 | Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes. Chemical science, 2023, 14, 5141-5147 |
1569110 | CIF | C23 H19 N O5 | P c a 21 | 19.1967; 13.7962; 13.848 90; 90; 90 | 3667.5 | Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes. Chemical science, 2023, 14, 6443-6448 |
1569385 | CIF | C55 H75 N6 P | P c a 21 | 27.9781; 12.6688; 28.6912 90; 90; 90 | 10169.6 | Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes. Chemical science, 2023, 14, 7928-7935 |
1569559 | CIF | C24 H26 O3 | P c a 21 | 11.1315; 16.475; 10.7131 90; 90; 90 | 1964.69 | Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions. Chemical science, 2023, 14, 8624-8634 |
1569812 | CIF | C22 H17 Cl2 F6 N3 O3 | P c a 21 | 12.6058; 20.0622; 9.0538 90; 90; 90 | 2289.7 | Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals, 2023, 13, 1241 |
1570406 | CIF | C19 H17 I2 P | P c a 21 | 14.8074; 12.4892; 20.5366 90; 90; 90 | 3797.89 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
1570503 | CIF | C41 H55 Cl3 N4 O2 Pt | P c a 21 | 28.1013; 8.2546; 17.2008 90; 90; 90 | 3989.98 | Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science, 2024, 15, 964-973 |
1570504 | CIF | C42 H61 Cl N4 O2 Pt | P c a 21 | 21.437; 8.3346; 22.655 90; 90; 90 | 4047.7 | Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science, 2024, 15, 964-973 |
1570634 | CIF | C40 H46 Cu N3 O | P c a 21 | 16.2264; 10.8168; 20.4792 90; 90; 90 | 3594.46 | Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science, 2024, 15, 584-593 |
1570735 | CIF | C6 H10 Ge I4 N2 | P c a 21 | 17.9943; 10.2787; 8.054 90; 90; 90 | 1489.65 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
1570903 | CIF | C35 H37 Cl N O7 P Pd | P c a 21 | 19.569; 9.821; 17.575 90; 90; 90 | 3377.7 | Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity. Molecules (Basel, Switzerland), 2024, 29, 345 |
1570908 | CIF | C35 H37 Cl N O7 P Pd | P c a 21 | 19.544; 9.842; 17.561 90; 90; 90 | 3377.9 | Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity. Molecules (Basel, Switzerland), 2024, 29, 345 |
1571068 | CIF Paper | C14 H12 O4 | P c a 21 | 13.7387; 20.547; 8.4283 90; 90; 90 | 2379.2 | Moodley, Cresten; Muller, Alfred; Belay, Yonas H. Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate IUCrData, 2024, 9 |
1571312 | CIF Paper | C50 H56 F12 N10 O3 P2 Ru | P c a 21 | 26.718; 9.8834; 20.648 90; 90; 90 | 5452.4 | Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S. Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate IUCrData, 2024, 9 |
2000261 | CIF Paper | C10 H14 F3 N O3 S | P c a 21 | 9.324; 12.038; 11.252 90; 90; 90 | 1263 | Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G. 5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole Acta Crystallographica Section C, 1991, 47, 2000-2002 |
2000285 | CIF Paper | C31 H41 N O3 | P c a 21 | 10.397; 23.018; 11.667 90; 90; 90 | 2792 | Luss, H. R.; Texter, J. Structure of <i>N</i>-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthalenecarboxamide Acta Crystallographica Section C, 1991, 47, 1491-1493 |
2000327 | CIF Paper | C13 H16 O3 | P c a 21 | 14.358; 9.297; 9.011 90; 90; 90 | 1202.8 | Zukerman-Schpector, J.; De Simone, C. A.; Castellano, E. E.; Oliva, G.; Tercio, J.; Ferreira, B.; Catani, V. Structure of 6,7-dimethoxy-2,2-dimethyl-2<i>H</i>-chromene, a natural precocene Acta Crystallographica Section C, 1991, 47, 1111-1113 |
2000887 | CIF Paper | C11 H22 O3 S | P c a 21 | 9.424; 17.177; 8.321 90; 90; 90 | 1347 | Jones, P. G.; Kirby, A. J.; Parker, J. K. Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol Acta Crystallographica Section C, 1992, 48, 849-851 |
2001088 | CIF Paper | C9 H16 Cu N4 O6 S | P c a 21 | 11.55; 7.877; 16.866 90; 90; 90 | 1534.5 | Haanstra, W. G.; Driessen, W. L.; Reedijk, J. Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II) Acta Crystallographica Section C, 1992, 48, 14-16 |
2001173 | CIF Paper | C16 H20 O3 | P c a 21 | 8.594; 14.045; 11.509 90; 90; 90 | 1389.2 | Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A. Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one Acta Crystallographica Section C, 1993, 49, 2140-2141 |
2001175 | CIF Paper | C22 H19 N3 | P c a 21 | 17.77; 5.379; 36.001 90; 90; 90 | 3441 | Toupet, L.; Soufiaoui, M.; Carrie, R. Etude de la phenylhydrazone du 3-benzoyl-1-methylindole Acta Crystallographica Section C, 1993, 49, 2143-2145 |
2001252 | CIF Paper | C24 H28 N O2 | P c a 21 | 27.961; 8.154; 9.34 90; 90; 90 | 2129.5 | Beddoes, R. L.; Gorman, A. A.; Unett, D. J. Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene Acta Crystallographica Section C, 1993, 49, 2007-2009 |
2001491 | CIF Paper | C5 H18 Co N5 O4 S3 | P c a 21 | 12.369; 7.958; 13.818 90; 90; 90 | 1360.1 | Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A. Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III) Acta Crystallographica Section C, 1993, 49, 1265-1267 |
2001691 | CIF Paper | C16 H15 N S U | P c a 21 | 15.427; 8.323; 11.772 90; 90; 90 | 1511.5 | Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B. Structure of tris(η^5^-cyclopentadienyl)uranium thiocyanate Acta Crystallographica Section C, 1993, 49, 929-931 |
2001727 | CIF Paper | C13 H18 O3 | P c a 21 | 11.562; 9.9784; 9.6781 90; 90; 90 | 1116.6 | Mague, J. T.; Ensley, H. E.; Chen, G. Structure of the epoxide of a tricyclic lactone Acta Crystallographica Section C, 1993, 49, 996-998 |
2001755 | CIF Paper | B7 Fe3 I O13 | P c a 21 | 8.654; 8.6481; 12.2336 90; 90; 90 | 915.57 | Kubel, F.; Janner, A.-M. Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I Acta Crystallographica Section C, 1993, 49, 657-659 |
2001909 | CIF Paper | C40 H36 | P c a 21 | 35.499; 10.289; 8.275 90; 90; 90 | 3022.4 | Schumann, H.; Görlitz, F. H.; Esser, L. Structure of pentabenzylcyclopentadiene Acta Crystallographica Section C, 1993, 49, 598-600 |
2001974 | CIF Paper | C5 H16 Cl Co N4 O3 | P c a 21 | 10.754; 11.084; 8.564 90; 90; 90 | 1020.8 | García-Granda, S.; Calvo-Pérez, V.; Gómez-Beltrán, F. Structure redetermination of carbonatobis(ethlenediamine)cobalt(III) chloride Acta Crystallographica Section C, 1993, 49, 322-324 |
2002007 | CIF Paper | C9 H10 O3 | P c a 21 | 6.61; 11.272; 10.738 90; 90; 90 | 800.1 | Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A. Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione Acta Crystallographica Section C, 1993, 49, 385-387 |
2002019 | CIF Paper | C14 H12 O | P c a 21 | 8.028; 5.456; 24.035 90; 90; 90 | 1052.8 | Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C. Structure of 2-phenylacetophenone Acta Crystallographica Section C, 1993, 49, 406-408 |
2002109 | CIF Paper | C20 H29 Cl O8 | P c a 21 | 17.884; 8.792; 13.918 90; 90; 90 | 2188.4 | Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M. 5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5 Acta Crystallographica Section C, 1993, 49, 179-182 |
2003210 | CIF | C24 H27 N3 O3 | P c a 21 | 15.518; 16.427; 8.46 90; 90; 90 | 2157 | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane Acta Crystallographica, Section C: Crystal Structure Communications, 1995, 51, 246-249 |
2003491 | CIF Paper | C16 H19 N O3 | P c a 21 | 25.601; 8.3508; 6.8213 90; 90; 90 | 1458.3 | Lopez de Diego, H. (<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate Acta Crystallographica Section C, 1995, 51, 935-937 |
2003591 | CIF Paper | C6 H5 B F3 K | P c a 21 | 7.24; 14.373; 7.444 90; 90; 90 | 774.6 | Conole, G.; Clough, A.; Whiting, A. Potassium Trifluorophenylborate Acta Crystallographica Section C, 1995, 51, 1056-1059 |
2003744 | CIF Paper | C21 H17 N3 O | P c a 21 | 12.759; 10.027; 14 90; 90; 90 | 1791.1 | Kopf, J.; Heuer, J. R. P.; Schweim, H. G. 5-Imino-1,4,4-triphenylimidazolidin-2-one: an Imidazolidine with an Exocyclic Imino Group Acta Crystallographica Section C, 1995, 51, 1583-1585 |
2003904 | CIF Paper | C9 H14 I P | P c a 21 | 24.699; 7.343; 12.748 90; 90; 90 | 2312 | Schödel, H.; Näther, C.; Bock, H. Two Trimethylphenylphosphonium Iodides Acta Crystallographica Section C, 1995, 51, 1841-1844 |
2004080 | CIF Paper | C22 H26 O4 | P c a 21 | 12.38; 11.194; 26.892 90; 90; 90 | 3726.7 | Stadnicka, K.; Zeslawski, W. 1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene Acta Crystallographica Section C, 1995, 51, 2377-2381 |
2004230 | CIF Paper | C19 H20 O6 | P c a 21 | 8.884; 26.179; 7.286 90; 90; 90 | 1694.5 | Stomberg, R.; Li, S.; Lundquist, K. (<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid Acta Crystallographica Section C, 1995, 51, 2698-2700 |
2004451 | CIF Paper | C9 H10 N2 O4 | P c a 21 | 11.207; 12.195; 7.3631 90; 90; 90 | 1006.3 | Waters, J. M.; Kitson, T. M. 3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate Acta Crystallographica Section C, 1996, 52, 101-104 |
2004487 | CIF Paper | C12 H7 Br Cl2 N2 O | P c a 21 | 22.076; 8.722; 6.552 90; 90; 90 | 1261.6 | Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M. <i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide Acta Crystallographica Section C, 1996, 52, 438-441 |
2004603 | CIF Paper | C12 H28 N4 Ni O7 S4 | P c a 21 | 17.682; 10.292; 11.855 90; 90; 90 | 2157.4 | Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M. 1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate Acta Crystallographica Section C, 1996, 52, 555-557 |
2004686 | CIF Paper | C2 H9 N7 O6 | P c a 21 | 14.0232; 6.8842; 8.9541 90; 90; 90 | 864.42 | Martin, A.; Pinkerton, A. A.; Schiemann, A. Energetic Materials: the Biguanidium Nitrates Acta Crystallographica Section C, 1996, 52, 966-970 |
2004715 | CIF Paper | C6 H11 Cl N2 O S | P c a 21 | 14.8793; 8.9205; 7.2837 90; 90; 90 | 966.77 | Seth, S.; Das, A. K.; Mak, T. C. W. An Unusual C(<i>sp</i>^2^)—H···Cl Interaction in the Solid State: Reinvestigation of 4,6-Dimethylpyrimidine-2-thione Hydrochloride Monohydrate Acta Crystallographica Section C, 1996, 52, 910-913 |
2004906 | CIF Paper | C11 H14 N2 O S | P c a 21 | 27.858; 8.094; 9.951 90; 90; 90 | 2243.8 | Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. <i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide Acta Crystallographica Section C, 1996, 52, 1285-1288 |
2004915 | CIF Paper | C22 H18 N2 O4 | P c a 21 | 22.028; 11.698; 7.0116 90; 90; 90 | 1806.8 | Schollmeyer, D.; Fischer, G.; Pindur, U. Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate Acta Crystallographica Section C, 1996, 52, 1277-1280 |
2004951 | CIF Paper | C17 H11 N O3 S | P c a 21 | 15.875; 13.09; 13.771 90; 90; 90 | 2862 | Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W. 3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation Acta Crystallographica Section C, 1996, 52, 1576-1579 |
2005354 | CIF Paper | C12 H8 O3 | P c a 21 | 20.154; 3.843; 11.787 90; 90; 90 | 912.9 | Thompson, H. W.; Lalancette, R. A.; Coté, M. L. 2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid Acta Crystallographica Section C, 1996, 52, 2372-2376 |
2005379 | CIF Paper | C21 H18 Br P | P c a 21 | 14.868; 11.953; 20.403 90; 90; 90 | 3626 | Steiner, Th. Triphenylpropargylphosphonium Bromide Acta Crystallographica Section C, 1996, 52, 2263-2266 |
2005587 | CIF | C6 H6 O3 | P c a 21 | 7.134; 12.152; 13.304 90; 90; 90 | 1153.4 | Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D. Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol) Acta Crystallographica Section C, 1996, 52, 2917-2920 |
2005736 | CIF Paper | C17 H12 N4 S | P c a 21 | 11.911; 15.794; 7.468 90; 90; 90 | 1405 | Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W. 5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur Acta Crystallographica Section C, 1996, 52, 3163-3165 |
2005798 | CIF Paper | C14 H12 Cl N O2 | P c a 21 | 6.246; 7.187; 31.334 90; 90; 90 | 1406.6 | Kevran, S.; Elmali, A.; Elerman, Y. 5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol Acta Crystallographica Section C, 1996, 52, 3256-3258 |
2005885 | CIF Paper | C2 H8 Na O7 P | P c a 21 | 5.806; 17.43; 14.607 90; 90; 90 | 1478.2 | Lis, T. Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O Acta Crystallographica Section C, 1997, 53, 28-42 |
2006586 | CIF Paper | C10 H11 Cl3 Ti | P c a 21 | 12.4368; 9.062; 10.3153 90; 90; 90 | 1162.56 | Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard <i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium Acta Crystallographica Section C, 1997, 53, 1416-1420 |
2006915 | CIF Paper | C24 H22 Br N O S | P c a 21 | 38.032; 7.373; 7.725 90; 90; 90 | 2166.2 | Fu, Tai Y.; Scheffer, John R.; Trotter, James Photocleavage Reactions of Monothioimides Acta Crystallographica Section C, 1998, 54, 103-107 |
2006985 | CIF | C11 H16 Cl N O2 | P c a 21 | 9.3482; 7.0493; 18.0924 90; 90; 90 | 1192.26 | Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section C, 1998, 54, 229-231 |
2007012 | CIF Paper | C11 H14 B F4 Mo O3 P | P c a 21 | 14.8333; 7.601; 14.109 90; 90; 90 | 1590.8 | Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-<i>P</i>)molybdenum(II) Tetrafluoroborate Acta Crystallographica Section C, 1998, 54, 181-183 |
2007162 | CIF Paper | C18 H21 F O | P c a 21 | 12.802; 11.181; 20.281 90; 90; 90 | 2903 | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie Structure and Photochemistry of Four Adamantylacetophenones Acta Crystallographica Section C, 1998, 54, 491-496 |
2007332 | CIF Paper | C11 H10 O3 | P c a 21 | 14.14; 9.167; 7.263 90; 90; 90 | 941.4 | Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A. (±)-3-Indanone-1-acetic Acid: Heterochiral Catemeric Hydrogen Bonding in a δ-Keto Acid Acta Crystallographica Section C, 1998, 54, 829-831 |
2007342 | CIF Paper | Rb4 S11 Ta2 | P c a 21 | 13.4806; 7.6909; 18.1758 90; 90; 90 | 1884.4 | Dürichen, Peter; Bensch, Wolfgang New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs) Acta Crystallographica Section C, 1998, 54, 706-708 |
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