Crystallography Open Database

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1568109 CIFC9 H7 N2 O9 ReP 1 21/n 16.4668; 24.4678; 8.2183
90; 102.605; 90		1269.03Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568110 CIFC18 H16 N4 O13 Re2P -110.5868; 13.477; 18.0923
82.284; 87.527; 68.815		2385.09Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568111 CIFC10 H10 N O8 ReI 1 2/a 18.8821; 11.136; 26.399
90; 93.457; 90		2606.4Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568112 CIFC10 H5 F3 N O6 ReP 1 21/n 112.926; 6.8177; 15.2153
90; 112.206; 90		1241.41Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568113 CIFC10 H6 N O8 ReP 1 21/c 110.5413; 6.8478; 17.1068
90; 103.515; 90		1200.65Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568114 CIFC10 H10 N O8 ReC 1 2/c 124.6135; 11.2159; 9.5651
90; 94.071; 90		2633.9Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568115 CIFC19 H14 F2 N2 O13 Re2P -19.7973; 10.6398; 12.744
78.502; 68.184; 73.235		1174.53Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568116 CIFC10 H10 N O7 ReI 1 2/a 19.1881; 11.0679; 25.0097
90; 97.989; 90		2518.63Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568117 CIFC27 H17 N6 O25 Re3P 1 21/c 112.1358; 18.6012; 16.1266
90; 90.297; 90		3640.38Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568118 CIFC20 H16 N4 O15 Re2P -110.938; 11.4782; 12.8234
101.726; 111.1; 109.637		1314.84Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568119 CIFC9 H7 F N O7 ReI 1 2/a 19.0438; 11.1598; 23.9385
90; 96.213; 90		2401.85Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568120 CIFC9 H6 N O7 ReP -17.2397; 8.0044; 9.5362
88.048; 76.353; 84.465		534.48Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568121 CIFC10 H5 N2 O6 ReP 1 21/c 110.3332; 6.6448; 17.7601
90; 102.862; 90		1188.85Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568122 CIFC9 H5 Cl N O6 ReC 1 2/c 122.88; 9.9814; 20.3649
90; 91.591; 90		4649.03Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568129 CIFC44 H44 N2P -17.4324; 14.6018; 16.6369
109.684; 98.078; 93.683		1671.1Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan
Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.
Chemical science, 2023, 14, 668-674
1568130 CIFC22 H22 NP 1 21/n 15.438; 17.7484; 19.3921
90; 91.455; 90		1871.04Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan
Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.
Chemical science, 2023, 14, 668-674
1568131 CIFC8 H8 N2 O3 SP 1 21/n 18.2861; 5.4731; 20.821
90; 93.606; 90		942.4Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun
EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.
Chemical science, 2023, 14, 525-532
1568133 CIFC46 H74 Ir4 UC 1 2/c 114.8239; 21.1789; 17.2427
90; 107.318; 90		5168Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément
A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.
Chemical science, 2023, 14, 861-868
1568134 CIFC40 H60 Ir4 ThP 1 21/n 113.6424; 19.07; 17.52
90; 102.339; 90		4452.7Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément
A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.
Chemical science, 2023, 14, 861-868
1568135 CIFC60 H90 Ir6 U2P -112.0833; 15.2848; 18.5723
93.815; 98.607; 93.365		3375.78Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément
A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.
Chemical science, 2023, 14, 861-868
1568164 CIFC48 H48 S2 Si2P 1 21 19.1046; 7.8073; 15.404
90; 101.618; 90		1072.52Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen
An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.
Chemical science, 2023, 14, 1123-1131
1568165 CIFC256 H432 Fe4 N28 O186 S12R 3 :H22.1273; 22.1273; 62.674
90; 90; 120		26575Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.
Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.
Chemical science, 2023, 14, 1018-1026
1568166 CIFC33.5 H28 O6P 1 21/n 117.659; 8.3859; 17.8047
90; 92.68; 90		2633.75Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.
A bioinspired, one-step total synthesis of peshawaraquinone.
Chemical science, 2023, 14, 950-954
1568175 CIFC46 H34 F N O2 SP 1 21/n 18.1805; 16.2254; 25.9415
90; 90.036; 90		3443.3Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling
Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.
Chemical science, 2023, 14, 1089-1096
1568176 CIFC43 H28 F N O3 SP 1 21/c 111.6223; 22.3952; 13.154
90; 101.844; 90		3350.9Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling
Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.
Chemical science, 2023, 14, 1089-1096
1568177 CIFC18 H16 N2 O2 S2P 1 21/n 15.3077; 10.641; 14.3047
90; 97.421; 90		801.15Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla
Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism.
Chemical science, 2023, 14, 1363-1371
1568181 CIFC32 H54 B4 Na2 O8P -19.5043; 10.1028; 11.4194
84.951; 81.475; 62.613		962.59Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568182 CIFC28 H42 B3 Na O4P 1 21/n 19.6203; 16.4732; 18.2301
90; 90.025; 90		2889.1Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568183 CIFC40 H68 B2 Li2 O6P 21 21 2113.1281; 16.9849; 18.645
90; 90; 90		4157.5Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568184 CIFC30 H48 Li2 N2 O2P 1 21/c 118.6111; 16.4244; 30.4468
90; 101.989; 90		9103.9Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568185 CIFC82 H136 B4 N4 Na4 O16P -110.2466; 14.7968; 15.6728
108.371; 95.677; 90.32		2242.4Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568186 CIFC41 H69 B2 Li N2 O9C 1 2/c 112.6287; 21.7373; 17.0233
90; 110.611; 90		4374Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568187 CIFC28 H42 B3 Li O4P 1 21/n 129.1123; 15.8326; 43.5324
90; 102.002; 90		19626.5Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568188 CIFC33 H50 B2 Li O8P -18.5527; 12.4941; 16.5866
75.533; 75.852; 84.925		1663.45Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568189 CIFC43 H58 B2 Li N O8P 1 21/c 110.9511; 24.516; 15.2282
90; 95.506; 90		4069.6Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Chemical science, 2023, 14, 849-860
1568196 CIFC336 H270 Ag46 Cl6 Cr2 N6 O32 S36P -126.4405; 30.63; 31.6049
62.291; 74.7925; 70.3241		21165.1Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di
Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.
Chemical science, 2023, 14, 1138-1144
1568197 CIFC288 H248 Ag37 Cl11 N6 Na O24 S30P 1 21/n 117.8704; 38.6083; 47.7137
90; 94.915; 90		32798.8Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di
Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.
Chemical science, 2023, 14, 1138-1144
1568198 CIFC92 H42 Co F32 N4 O24 Ru4P -110.8295; 14.3466; 16.2889
98.991; 110.11; 97.83		2297.5Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.
Chemical science, 2023, 14, 791-800
1568199 CIFC88 H42 Co F32 N4 O20 Ru4P -110.3561; 14.2275; 16.1588
96.889; 109.083; 99.555		2179.7Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.
Chemical science, 2023, 14, 791-800
1568200 CIFC88 H42 Co F32 N6 O16 Ru4P -110.3569; 14.221; 16.1573
96.891; 109.135; 99.504		2178.34Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.
Chemical science, 2023, 14, 791-800
1568201 CIFC60 H108 Br2 Cl18 N8 Na2 O12P -112.4765; 13.7256; 15.0782
71.979; 88.7149; 78.9608		2408.12Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568202 CIFC29 H52 N4 O6I 1 2/a 125.8831; 5.6524; 43.78
90; 94.085; 90		6388.8Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568203 CIFC31 H58 F2 K N8 O16 Yb2P -112.6782; 13.2543; 17.7146
94.8655; 102.8; 108.058		2721.73Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568204 CIFC186 H316 N48 O84 Yb12P 1 21/n 128.4973; 15.9022; 39.7702
90; 103.219; 90		17545.1Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568205 CIFC17 H31 N4 O9 YbP 1 21/n 110.8216; 18.3994; 11.1809
90; 106.757; 90		2131.7Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568206 CIFC186 H324 Eu12 N48 O84P 1 21/n 128.5577; 15.9841; 39.9615
90; 103.346; 90		17748.6Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568207 CIFC17 H31 Eu N4 O9P 1 21/n 110.7991; 18.3916; 11.2076
90; 106.553; 90		2133.72Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Chelating chloride using binuclear lanthanide complexes in water.
Chemical science, 2023, 14, 1194-1204
1568208 CIFC24 H53 Fe N3 Si4P 1 21/n 118.67067; 18.94109; 18.90816
90; 94.3084; 90		6667.84Stroek, Wowa; Albrecht, Martin
Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.
Chemical science, 2023, 14, 2849-2859
1568209 CIFC30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10P -111.5091; 16.0047; 16.969
78.893; 83.202; 80.19		3010.4Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz
A decacationic ferrocene-based metallostar.
Chemical science, 2023, 14, 1132-1137
1568210 CIFC98 H150 F60 Fe Hg10 N24 S10 Sb10C 1 2/c 118.7149; 36.9102; 32.7166
90; 94.377; 90		22533.8Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz
A decacationic ferrocene-based metallostar.
Chemical science, 2023, 14, 1132-1137

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