Crystallography Open Database
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Searching year of publication is 2023
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1568371 | CIF | C11 H20 Ag F4 N3 O8 S4 | P -1 | 9.5881; 10.8805; 11.469 87.979; 78.644; 64.936 | 1061.04 | 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 |
| 1568372 | CIF | C16 H20 Cl2 N2 O2 Pd | P 1 21/n 1 | 8.5369; 12.0251; 17.0606 90; 96.799; 90 | 1739.07 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568373 | CIF | C17 H22 Cl2 N2 O2 Pd | C 1 2/c 1 | 16.7813; 8.4205; 26.3272 90; 103.427; 90 | 3618.5 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568374 | CIF | C17 H22 Br2 N2 O2 Pd | C 1 2/m 1 | 12.3508; 14.1078; 10.6617 90; 101.286; 90 | 1821.8 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568375 | CIF | C57 H52 Cl2 O5 P2 Pd | P -1 | 12.63; 13.0697; 16.0599 67.524; 81.219; 78.077 | 2388.82 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568376 | CIF | C50.34 H42.68 Cl2 O3.45 P2 Pd | P 1 21/c 1 | 12.4623; 10.8537; 32.8318 90; 93.985; 90 | 4430.2 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568377 | CIF | C45 H33 Cl5 Fe O2 P2 Pd | P n a 21 | 32.1117; 12.4315; 10.0614 90; 90; 90 | 4016.48 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568378 | CIF | C63 H51 Cl2 O4 P2 Pd | P 1 21/n 1 | 20.2129; 13.654; 20.7338 90; 116.67; 90 | 5113.4 | Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates Polymer Chemistry, 2023, 14, 1007-1018 |
| 1568379 | CIF | C422 H299 B11.5 F47 N72 O27.75 Zn8 | P 1 21/c 1 | 27.5152; 48.566; 55.058 90; 91.649; 90 | 73544 | Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest. Chemical science, 2023, 14, 2237-2244 |
| 1568380 | CIF | C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8 | P -1 | 27.2167; 33.1187; 38.817 88.598; 88.357; 83.075 | 34712 | Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest. Chemical science, 2023, 14, 2237-2244 |
| 1568381 | CIF | C34 H26 Cl N O2 | P 1 21 1 | 7.2214; 28.506; 13.0812 90; 92.638; 90 | 2690 | Das, Saikat; Kondoh, Azusa; Terada, Masahiro Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase. Chemical science, 2023, 14, 3154-3159 |
| 1568382 | CIF | C60 H64 B F24 Fe N3 O2 P2 | P 1 21/c 1 | 13.6976; 23.8148; 20.2227 90; 98.742; 90 | 6520.1 | Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T. Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity Catalysis Science & Technology, 2023, 13, 1358-1368 |
| 1568383 | CIF | C36 H68 K N O4 P2 Ru | P 21 21 21 | 12.158; 17.5241; 19.0088 90; 90; 90 | 4050 | Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T. Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity Catalysis Science & Technology, 2023, 13, 1358-1368 |
| 1568384 | CIF | C114 H226 Cr4 O28 Si7 | P -1 | 18.0228; 18.6557; 24.1397 81.335; 80.527; 62.02 | 7044.8 | Nobile, Anna Giorgia; Trummer, David; Berkson, Zachariah J.; Wörle, Michael; Copéret, Christophe; Payard, Pierre-Adrien Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst Chemical Science, 2023, 14, 2361-2368 |
| 1568385 | CIF | C24 H21 F N2 O4 | P 1 21/n 1 | 8.8055; 11.8006; 19.3349 90; 91.749; 90 | 2008.2 | Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates Chemical Science, 2023, 14, 2461-2466 |
| 1568386 | CIF | Se3 Sn Zr | P n m a | 9.5862; 3.84427; 14.3959 90; 90; 90 | 530.52 | Kondrotas, Rokas; Juskenas, Remigijus; Krotkus, Arunas; Pakstas, Vidas; Suchodolskis, Arturas; Mekys, Algirdas; Franckevicius, Marius; Talaikis, Martynas; Muska, Katri; Li, Xiaofeng; Kauk-Kuusik Marit; Kravtsov Victor Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3 Open Research Europe, 2023, 2, 1-12 |
| 1568404 | CIF | C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 | P -1 | 20.6469; 23.6627; 24.8965 64.38; 69.27; 68.88 | 9942.9 | Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine Catalysis Science & Technology, 2023, 13, 1725-1734 |
| 1568405 | CIF | C18 H18 N2 O3 S2 | P 1 21 1 | 10.53468; 6.40021; 13.58053 90; 106.401; 90 | 878.396 | Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles. Chemical science, 2023, 14, 3010-3017 |
| 1568406 | CIF | C5 As Cl F11 N | P 1 21/n 1 | 6.2789; 21.884; 7.7197 90; 111.31; 90 | 988.22 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568407 | CIF | C5 H5 Cl2 N | P n m a | 13.9435; 6.5593; 7.0669 90; 90; 90 | 646.34 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568408 | CIF | C26 H30 B2 Cl2 F8 N6 | C 1 2 1 | 15.093; 14.455; 15.759 90; 108.451; 90 | 3261 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568409 | CIF | C14 H18 Cl4 N2 | P 1 21/m 1 | 8.3507; 6.7026; 15.1667 90; 104.077; 90 | 823.41 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568410 | CIF | C26 H30 Ag B2 F8 N6 | P b c n | 13.6718; 15.798; 15.142 90; 90; 90 | 3270.5 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568411 | CIF | As Cl2 F7 | P 1 21/n 1 | 5.3882; 15.2962; 7.9427 90; 105.459; 90 | 630.95 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568412 | CIF | C12 H8 Se2 | P 1 21/c 1 | 12.1157; 6.2539; 14.6 90; 109.833; 90 | 1040.63 | Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry. Chemical science, 2023, 14, 2640-2645 |
| 1568413 | CIF | C22 H14 F5 N O3 | P 1 21/c 1 | 41.4191; 6.5104; 14.0699 90; 98.7; 90 | 3750.4 | Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol Chemical Science, 2023, 14, 2983-2989 |
| 1568414 | CIF | C16 H15 N O3 | P 1 c 1 | 7.9798; 10.8805; 8.421 90; 117.053; 90 | 651.15 | Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol Chemical Science, 2023, 14, 2983-2989 |
| 1568415 | CIF | C19 H19 N O3 | P -1 | 7.9718; 9.2217; 11.1636 100.875; 90.02; 110.526 | 752.8 | Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol Chemical Science, 2023, 14, 2983-2989 |
| 1568416 | CIF | C20 H18 F6 O3 | P 1 21/n 1 | 8.6103; 7.9713; 27.483 90; 91.244; 90 | 1885.9 | Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol Chemical Science, 2023, 14, 2983-2989 |
| 1568417 | CIF | C105 H121 N9 Ni2 O10 | P 1 21/c 1 | 21.23; 28.36; 16.32 90; 105.11; 90 | 9486 | Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi Structurally well-defined conjugated <i>meso</i>-aminoporphyrin oligomers analogous to polyanilines. Chemical science, 2023, 14, 2735-2744 |
| 1568418 | CIF | C51 H70 Fe N4 | C 1 2/c 1 | 23.1585; 9.2604; 23.5718 90; 114.448; 90 | 4601.9 | Xiong, Jin; Liu, Qing; Lavina, Barbara; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Deng, Liang; Ye, Shengfa; Guo, Yisong Spin polarization assisted facile C-H activation by an <i>S</i> = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation. Chemical science, 2023, 14, 2808-2820 |
| 1568419 | CIF | C13 H10 Cl2 N2 O | P 1 2/c 1 | 14.5261; 4.3104; 20.361 90; 102.088; 90 | 1246.6 | Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska An atomistic mechanism for elasto-plastic bending in molecular crystals. Chemical science, 2023, 14, 3441-3450 |
| 1568420 | CIF | C13 H10 Cl2 N2 O | P 1 2/c 1 | 14.3805; 4.2807; 20.0178 90; 101.319; 90 | 1208.3 | Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska An atomistic mechanism for elasto-plastic bending in molecular crystals. Chemical science, 2023, 14, 3441-3450 |
| 1568421 | CIF | C31 H26 Cl3 N3 O5 | P 21 21 21 | 9.9368; 17.0962; 17.1478 90; 90; 90 | 2913.09 | Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes Chemical Science, 2023, 14, 2330-2335 |
| 1568422 | CIF | C27 H24 F3 N3 O2 S | P 21 21 21 | 7.4828; 18.3087; 18.4701 90; 90; 90 | 2530.41 | Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J. Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles. Chemical science, 2023, 14, 2755-2762 |
| 1568423 | CIF | C23 H24 Cl N O4 S | P 1 21 1 | 11.1508; 6.3344; 15.0399 90; 99.417; 90 | 1048.01 | Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J. Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles. Chemical science, 2023, 14, 2755-2762 |
| 1568424 | CIF | C20 H22 O4 Pd S2 | P -1 | 9.0235; 10.1775; 11.8976 81.443; 73.982; 76.298 | 1016.25 | Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds Chemical Science, 2023, 14, 2943-2953 |
| 1568425 | CIF | C30 H29 O4 P Pd S | P 1 21/c 1 | 10.1765; 28.3513; 9.7423 90; 106.951; 90 | 2688.7 | Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds Chemical Science, 2023, 14, 2943-2953 |
| 1568426 | CIF | C34 H31 O2 P Pd S | P 21 21 21 | 9.7129; 11.885; 24.9669 90; 90; 90 | 2882.12 | Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds Chemical Science, 2023, 14, 2943-2953 |
| 1568427 | CIF | C34 H31 O2 P Pd S | P 21 21 21 | 9.6976; 11.8942; 24.9749 90; 90; 90 | 2880.7 | Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds Chemical Science, 2023, 14, 2943-2953 |
| 1568428 | CIF | C57 H83 Al N4 Si2 | P 1 21/c 1 | 16.0038; 13.5032; 25.4153 90; 97.519; 90 | 5445.08 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568429 | CIF | C53 H88 Al Cu N4 Si2 | C 1 c 1 | 21.4197; 13.5245; 19.6839 90; 103.151; 90 | 5552.7 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568430 | CIF | C86 H122 Al Cu N4 Si2 | P -1 | 12.225; 12.4368; 27.9562 81.885; 86.337; 74.292 | 4049.28 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568431 | CIF | C46 H80 Al Cu N4 Si3 | P 1 21/n 1 | 15.0696; 16.5798; 20.4317 90; 91.457; 90 | 5103.2 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568432 | CIF | C47 H80 Al Cu N4 Si2 | P 1 21/c 1 | 16.2074; 12.7848; 24.4265 90; 100.576; 90 | 4975.39 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568433 | CIF | C75 H104 Al Cu N4 Si2 | P b c n | 15.0236; 21.9618; 21.1294 90; 90; 90 | 6971.55 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568434 | CIF | C160 H220 Al2 Cu4 N6 Si4 | P -1 | 13.2732; 17.1411; 34.2337 97.978; 98.341; 96.908 | 7553 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568435 | CIF | C57 H80 Al Cu N4 Si2 | C 1 c 1 | 20.8885; 13.8728; 19.6118 90; 101.347; 90 | 5572.06 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568436 | CIF | C74 H112 Al Cu N6 Si2 | P 1 21/c 1 | 12.40965; 23.21981; 25.09012 90; 92.1704; 90 | 7224.52 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
| 1568437 | CIF | C74 H114 Al Cu N6 Si2 | P 1 21/n 1 | 13.5126; 23.3252; 23.6673 90; 105.075; 90 | 7202.84 | Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes. Chemical science, 2023, 14, 2866-2876 |
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