Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4505740 | CIF | C21 H19 N3 O3 | P 1 21 1 | 10.9128; 6.0767; 13.7533 90; 94.08; 90 | 909.72 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505741 | CIF | C30 H38 N4 O7 S3 | C 1 2 1 | 16.4321; 10.3701; 12.2684 90; 130.242; 90 | 1595.78 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505742 | CIF | C30 H38 N4 O7 S3 | C 1 2/c 1 | 21.156; 8.8635; 18.64 90; 110.286; 90 | 3278.5 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505743 | CIF | C30 H38 N4 O7 S3 | P 1 21/n 1 | 19.919; 11.9916; 28.951 90; 108.562; 90 | 6555.5 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505744 | CIF | C36 H48 N4 O6 S2 | P 1 | 10.0589; 13.158; 15.7738 70.127; 76.419; 78.161 | 1890.5 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505745 | CIF | C27 H8 F16 S2 | P b c a | 12.157; 18.073; 22.72 90; 90; 90 | 4992 | Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals Crystal Growth & Design, 2003, 3, 847 |
| 4505746 | CIF | C30 H11 F16 S2 | P -1 | 8.565; 12.886; 12.896 91.569; 101.802; 100.209 | 1368.2 | Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals Crystal Growth & Design, 2003, 3, 847 |
| 4505747 | CIF | C37 H16 F16 S2 | C 1 2/c 1 | 29.337; 8.0513; 31.583 90; 117.188; 90 | 6636 | Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals Crystal Growth & Design, 2003, 3, 847 |
| 4505748 | CIF | C14 H20 N6 Ni S4 | P -1 | 7.4343; 8.6973; 9.772 64.74; 70.307; 89.487 | 531.2 | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes Crystal Growth & Design, 2003, 3, 805 |
| 4505749 | CIF | C11.8 H12 N5 Ni O0.4 S4 | P -1 | 11.4302; 13.7495; 15.4235 86.097; 80.736; 70.242 | 2251.3 | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes Crystal Growth & Design, 2003, 3, 805 |
| 4505750 | CIF | C13 H6 N5 Ni S4 | P 1 21/c 1 | 16.5462; 6.3851; 17.4351 90; 118.047; 90 | 1625.7 | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes Crystal Growth & Design, 2003, 3, 805 |
| 4505751 | CIF | C9 H12 N3 Ni S4 | P 1 21/c 1 | 8.9923; 15.603; 10.8481 90; 112.439; 90 | 1406.8 | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes Crystal Growth & Design, 2003, 3, 805 |
| 4505752 | CIF | C11 H8 N3 Ni S4 | P -1 | 8.5003; 9.2896; 10.054 83.58; 76.04; 81.09 | 758.9 | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes Crystal Growth & Design, 2003, 3, 805 |
| 4505753 | CIF | C16 H15 N O6 | P 1 21/n 1 | 7.7352; 23.0212; 8.315 90; 106.454; 90 | 1420 | Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B. Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene Crystal Growth & Design, 2003, 3, 639 |
| 4505754 | CIF | C16 H15 N O5 | C 1 2/c 1 | 23.306; 8.0979; 15.7049 90; 98.781; 90 | 2929.2 | Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B. Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene Crystal Growth & Design, 2003, 3, 639 |
| 4505755 | CIF | C9 H20 Ag Cl O4 S2 | P 1 21/c 1 | 8.774; 17.261; 10.025 90; 96.903; 90 | 1507.3 | Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers Crystal Growth & Design, 2003, 3, 829 |
| 4505756 | CIF | C30 H66 Ag2 Cl2 O8 S6 | R -3 :H | 11.735; 11.735; 28.352 90; 90; 120 | 3381.3 | Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers Crystal Growth & Design, 2003, 3, 829 |
| 4505757 | CIF | C11 H24 Ag Cl N0 O4 S2 | P 1 21/n 1 | 8.973; 11.276; 17.26 90; 94.843; 90 | 1740.1 | Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers Crystal Growth & Design, 2003, 3, 829 |
| 4505758 | CIF | C18 H39 Ag Cl O4 S3 | P 1 21/n 1 | 10.971; 13.751; 17.288 90; 90.978; 90 | 2608 | Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers Crystal Growth & Design, 2003, 3, 829 |
| 4505759 | CIF | C13 H28 Ag Cl O4 S2 | P -1 | 9.316; 9.699; 11.033 72.942; 87.615; 85.065 | 949.4 | Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers Crystal Growth & Design, 2003, 3, 829 |
| 4505760 | CIF | C18 H16 Br2 F16 N2 | P -1 | 5.5807; 6.1359; 18.425 92.881; 92.386; 90.412 | 629.55 | Liantonio, Rosalba; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea Perfluorocarbon−Hydrocarbon Self-Assembly: First Crystalline Halogen-Bonded Complex Involving Bromoperfluoroalkanes Crystal Growth & Design, 2003, 3, 799 |
| 4506416 | CIF | C15 H13 I O3 S2 | P n a 21 | 9.0219; 5.1183; 34.1133 90; 90; 90 | 1575.24 | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters, 2012, 3, 490-495 |
| 4506417 | CIF | C15 H9 F5 O3 S2 | C 1 2/c 1 | 21.3874; 5.5765; 26.7076 90; 100.485; 90 | 3132.1 | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters, 2012, 3, 490-495 |
| 4506418 | CIF | C15 H9 F4 I O3 S2 | P 1 21/n 1 | 16.9301; 5.6351; 18.5698 90; 111.768; 90 | 1645.28 | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters, 2012, 3, 490-495 |
| 4506419 | CIF | C16 H17 N O5 S3 | P 1 c 1 | 16.7476; 5.3576; 9.8572 90; 100.589; 90 | 869.39 | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters, 2012, 3, 490-495 |
| 4506420 | CIF | C15 H16 N2 O5 S3 | P -1 | 5.7099; 10.7256; 15.2849 107.324; 95.601; 99.714 | 869.86 | Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS medicinal chemistry letters, 2012, 3, 490-495 |
| 4507431 | CIF | C192 H144 Cu4 N28 O12 | A b a 2 | 26.531; 29.2825; 21.2848 90; 90; 90 | 16536 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
| 4507432 | CIF | C100 H80 Cu4 N20 O22 | P -1 | 13.373; 13.767; 14.926 104.973; 103.729; 109.545 | 2338.2 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host–Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
| 4507433 | CIF | C46 H50 Cl2 F5 N3 O3 Ru | P 1 21/n 1 | 24.2414; 12.5158; 30.0577 90; 106.816; 90 | 8729.6 | Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M. Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes ACS Catalysis, 2013, 3, 259-264 |
| 4507438 | CIF | C14 H8 Br Fe2 N O6 S2 | P -1 | 7.6922; 10.824; 11.227 74.383; 86.307; 80.513 | 887.7 | Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential ACS Catalysis, 2013, 3, 429 |
| 4507767 | CIF | C20 H18 N2 O3 | P 1 21/n 1 | 10.5224; 8.7192; 20.0164 90; 102.322; 90 | 1794.1 | Zhang, Xiao-Nan; Shi, Min Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one ACS Catalysis, 2013, 3, 507 |
| 4507768 | CIF | C11 H13 F3 N2 O7 | P 21 21 21 | 6.0338; 7.3229; 32.512 90; 90; 90 | 1436.5 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507769 | CIF | C10 H11 F3 O4 | P 1 21 1 | 5.2612; 8.0356; 26.8522 90; 90.009; 90 | 1135.23 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507770 | CIF | C7 H10 F3 N O3 | P 43 21 2 | 7.0694; 7.0694; 35.24 90; 90; 90 | 1761.2 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507771 | CIF | C8 H12 F3 N O3 | P 21 21 21 | 6.4729; 7.3947; 21.763 90; 90; 90 | 1041.7 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507772 | CIF | C12 H12 F3 N O3 S | P 1 | 5.1139; 6.3453; 11.289 82.575; 79.056; 68.124 | 333.07 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507773 | CIF | C19 H19 Cl2 N O2 S | P -1 | 7.077; 7.792; 17.241 83.163; 83.039; 75.993 | 911.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
| 4507774 | CIF | C16 H22 Cl N O2 S | P b c a | 14.8823; 15.0709; 15.0819 90; 90; 90 | 3382.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
| 4507775 | CIF | C22 H18 Br N O4 S | P 21 21 21 | 8.6638; 10.6945; 21.769 90; 90; 90 | 2017 | Jia, Min-Qiang; You, Shu-Li N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde–Ketone Benzoin Reactions ACS Catalysis, 2013, 3, 622 |
| 4507776 | CIF | C13 H15 N O2 | P -1 | 6.5346; 8.803; 10.4461 85.089; 75.857; 68.462 | 542 | Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates ACS Catalysis, 2013, 3, 790 |
| 4507881 | CIF | C60 H52 Cl2 F12 N10 O4 P2 Ru2 | C 1 2/c 1 | 19.5432; 27.2305; 23.3159 90; 99.748; 90 | 12228.9 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4507882 | CIF | C30 H27 Cl F6 N4 O2 P Ru | P 1 21/n 1 | 11.4748; 22.961; 11.4873 90; 95.161; 90 | 3014.3 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4507883 | CIF | C29 H34 Cl F9 N5 P Ru | P 1 21/n 1 | 8.6237; 30.965; 11.965 90; 109.38; 90 | 3014 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4508109 | CIF | C25 H20 Br N6 O4 Re | P 1 21/n 1 | 11.6786; 19.4125; 11.7398 90; 104.932; 90 | 2571.7 | Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties ACS Catalysis, 2013, 3, 1685 |
| 4508110 | CIF | C44 H72 O4 S2 V | P 1 21/c 1 | 14.843; 16.907; 17.478 90; 93.767; 90 | 4376.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508111 | CIF | C56 H70 Cl3 Nb O2 S2 | P 1 21/c 1 | 17.747; 15.722; 19.957 90; 103.391; 90 | 5417 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508112 | CIF | C44 H64 Cl3 O2 S2 Ta | P 1 21 1 | 14.0634; 11.496; 14.0371 90; 101.661; 90 | 2222.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508362 | CIF | C18 H28 Cl2 F6 Ir N2 O2 P | P 1 21/c 1 | 12.129; 11.4374; 17.545 90; 95.165; 90 | 2424 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
| 4508363 | CIF | C32 H50 F6 Ir2 N4 O7 S2 | P -1 | 10.982; 13.584; 15.035 95.693; 108.315; 110.76 | 1934.2 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
| 4508364 | CIF | C49 H45 Cl3 Mo N4 O2 P2 Zn | P 1 21/c 1 | 20.0576; 14.3652; 17.229 90; 95.415; 90 | 4942.06 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
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