Crystallography Open Database
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Searching volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4514792 | CIF | C40 H48 B2 Fe N12 | C 1 2/c 1 | 20.1074; 16.9145; 25.426 90; 108.024; 90 | 8223.2 | Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts. ACS catalysis, 2019, 9, 6223-6233 |
| 4514793 | CIF | C24 H31 Cl Ir N O | P 1 21/n 1 | 8.81332; 15.7101; 17.1127 90; 102.781; 90 | 2310.68 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
| 4514794 | CIF | C32 H36 Ir N O2 | P -1 | 11.5179; 13.5428; 18.483 76.588; 87.879; 89.094 | 2802.44 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
| 4514795 | CIF | C19 H21 N O S | P b c a | 10.7285; 17.9511; 18.0222 90; 90; 90 | 3470.87 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C–H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
| 4514796 | CIF | C22 H21 N O2 | P 21 21 21 | 7.1896; 13.9891; 17.894 90; 90; 90 | 1799.71 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C–H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
| 4514797 | CIF | C22 H23 N O | P 43 | 10.6545; 10.6545; 15.1128 90; 90; 90 | 1715.58 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
| 4514798 | CIF | C20 H19 N O | P 21 21 21 | 5.6073; 16.7309; 16.9207 90; 90; 90 | 1587.42 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
| 4514799 | CIF | C24 H22 N2 O | P b c a | 10.4266; 18.053; 19.734 90; 90; 90 | 3714.6 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
| 4514800 | CIF | C26 H24 N2 O | P 1 21 1 | 8.7098; 8.9173; 13.0467 90; 93.444; 90 | 1011.48 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
| 4514801 | CIF | C18 H19 N O2 | P -1 | 9.859; 10.008; 15.838 93.054; 90.75; 99.872 | 1537 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
| 4514802 | CIF | C30 H36 B N3 O3 | P 1 21 1 | 6.5399; 23.9124; 9.103 90; 102.293; 90 | 1390.93 | Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis, 2019, 9, 6502 |
| 4514803 | CIF | C30 H36 B N3 O3 | P 41 21 2 | 9.0322; 9.0322; 68.9818 90; 90; 90 | 5627.58 | Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis, 2019, 9, 6502 |
| 4514804 | CIF | C34 H36 O S2 | P 1 21/c 1 | 12.8072; 13.6963; 17.6483 90; 110.451; 90 | 2900.59 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
| 4514805 | CIF | C19 H14 S2 | P -1 | 7.9503; 8.3038; 12.6012 78.352; 79.15; 72.944 | 771.51 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
| 4514806 | CIF | C19 H14 O S2 | C 1 2/c 1 | 16.653; 5.92231; 33.4022 90; 104.977; 90 | 3182.36 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
| 4514807 | CIF | C21 H24 Cl Rh S | P 1 21 1 | 7.74658; 14.0941; 9.1196 90; 108.015; 90 | 946.87 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
| 4514808 | CIF | C18 H10 S2 | P 1 21/c 1 | 3.95493; 12.7072; 25.5848 90; 91.496; 90 | 1285.35 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
| 4514809 | CIF | C42 H78 N6 O Si6 Th | P -1 | 11.208; 13.909; 19.199 69.17; 83.14; 71.15 | 2647.3 | Saha, Sayantani; Eisen, Moris S. Catalytic Recycling of a Th–H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles ACS Catalysis, 2019, 9, 5947 |
| 4514810 | CIF | C10 H10 F2 O2 | P 1 21/c 1 | 9.946; 9.088; 10.222 90; 102.351; 90 | 902.6 | Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow ACS Catalysis, 2019, 9, 6555 |
| 4514811 | CIF | C15 H18 O2 | P n a 21 | 25.8841; 7.333; 6.343 90; 90; 90 | 1203.95 | Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis, 2019, 9, 8835 |
| 4514812 | CIF | C21 H29 N O2 | P 1 21 1 | 5.5974; 16.9126; 19.3211 90; 90.056; 90 | 1829.1 | Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis, 2019, 9, 8835 |
| 4514813 | CIF | C93 H84 F3 O31 P4 S Yb2 | P 1 21 1 | 17.0655; 17.2352; 23.1949 90; 95.16; 90 | 6794.6 | Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis, 2019, 9, 8285 |
| 4514814 | CIF | C20 H23 N O5 | P 21 21 21 | 5.78428; 12.07053; 25.84988 90; 90; 90 | 1804.82 | Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor–Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis, 2019, 9, 8285 |
| 4514815 | CIF | C25 H9 B F15 N O | P 1 21/c 1 | 15.7548; 8.5218; 17.5186 90; 91.195; 90 | 2351.52 | Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C. Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols ACS Catalysis, 2019, 9, 8397 |
| 4514816 | CIF | C44 H55 Au N O2 P | P -1 | 11.7663; 12.5195; 15.6679 101.971; 95.869; 117.925 | 1941.11 | Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis, 2019, 9, 7862 |
| 4514817 | CIF | C30 H25 Au N O2 P | P 1 21/c 1 | 12.35599; 11.5441; 17.5685 90; 98.0363; 90 | 2481.34 | Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis, 2019, 9, 7862 |
| 4514818 | CIF | C19 H20 O | P 1 21 1 | 8.803; 5.4591; 15.567 90; 104.94; 90 | 722.8 | Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis, 2019, 9, 7870 |
| 4514819 | CIF | C24 H16 Br N O4 | P 1 21 1 | 9.7213; 9.12937; 12.1367 90; 102.827; 90 | 1050.24 | Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis, 2019, 9, 7870 |
| 4514820 | CIF | C25 H15 N3 O | C 1 2/c 1 | 39.582; 6.6842; 13.9095 90; 97.656; 90 | 3647.3 | Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C–H Alkynylation and Decarboxylative C–H/C–C Manifolds ACS Catalysis, 2019, 9, 7690 |
| 4514821 | CIF | C14 H17 N O2 | P 1 21/c 1 | 10.9605; 9.5967; 11.9487 90; 93.832; 90 | 1254 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
| 4514822 | CIF | C16 H21 N O2 | P n a 21 | 23.054; 8.4318; 7.3235 90; 90; 90 | 1423.6 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
| 4514823 | CIF | C15 H18 O3 | P 1 21/c 1 | 12.827; 20.383; 5.0473 90; 96.027; 90 | 1312.3 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
| 4514824 | CIF | C16 H20 O3 | C 1 2/c 1 | 31.2814; 6.1424; 15.8248 90; 111.709; 90 | 2825 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
| 4514825 | CIF | C19 H28 Cl Cu N3 O4 | P n a 21 | 23.1742; 9.9101; 9.2756 90; 90; 90 | 2130.22 | Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes. ACS catalysis, 2019, 9, 7746-7758 |
| 4514826 | CIF | C50 H52 Ir N4 | P 1 21/c 1 | 20.5401; 12.5368; 16.2915 90; 100.551; 90 | 4124.2 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
| 4514827 | CIF | C43 H42 Ir N6 | P -1 | 10.1805; 13.1835; 14.4356 85.2561; 69.5849; 77.2239 | 1770.8 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
| 4514828 | CIF | C41 H36 Ir N6 | P 1 21/n 1 | 14.476; 14.367; 34.464 90; 101.797; 90 | 7016.3 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
| 4514829 | CIF | C39 H45 Ir N4 | P 1 21/c 1 | 11.3918; 14.4386; 20.4434 90; 99.64; 90 | 3315.1 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
| 4514830 | CIF | C49 H55 Ir N6 | P 1 21/c 1 | 17.6455; 12.6291; 20.6034 90; 111.016; 90 | 4286 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
| 4514831 | CIF | C11 H23 N3 O3 S | P 21 21 21 | 8.3707; 11.4502; 14.6387 90; 90; 90 | 1403.06 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
| 4514832 | CIF | C12 H18 N2 O2 S | P b c a | 17.0285; 6.9101; 21.3006 90; 90; 90 | 2506.41 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
| 4514833 | CIF | C29 H47 N3 O6 S | P 1 | 7.0841; 14.1779; 15.2277 98.32; 100.672; 103.356 | 1433.94 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
| 4514834 | CIF | C17 H20 N2 O2 S | P 1 21/n 1 | 10.2981; 7.0578; 21.651 90; 94.024; 90 | 1569.8 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
| 4514835 | CIF | C20 H30 Cl N3 O3 S | P b c a | 15.2153; 14.9228; 18.7632 90; 90; 90 | 4260.3 | Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis ACS Catalysis, 2019, 9, 8083 |
| 4514836 | CIF | C32 H29 N O4 S | P 1 21/c 1 | 13.6328; 9.7259; 19.2323 90; 94.976; 90 | 2540.42 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
| 4514837 | CIF | C27 H27 N O4 S | P 1 21/c 1 | 37.0525; 12.0473; 10.4128 90; 90.415; 90 | 4647.97 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
| 4514838 | CIF | C25 H23 N O2 | P 1 21/c 1 | 18.0757; 14.6438; 7.2015 90; 101.012; 90 | 1871.12 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
| 4514839 | CIF | C21 H26 B N O4 S | P 21 21 21 | 10.4319; 14.2343; 29.1953 90; 90; 90 | 4335.2 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
| 4514840 | CIF | C21 H26 B N O5 S | P 31 | 9.9417; 9.9417; 18.9939 90; 90; 120 | 1625.8 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
| 4514841 | CIF | C23 H36 B F3 N2 O6 S | P 21 21 21 | 9.2674; 10.7476; 28.5667 90; 90; 90 | 2845.3 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
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