Crystallography Open Database
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Searching year of publication is 2016
COD ID ![]() |
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1529430 | CIF | C36 H41 Na O6 | P 1 21/c 1 | 18.646; 12.596; 14.6475 90; 112.453; 90 | 3179.4 | Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide Catal. Sci. Technol., 2016, 6, 515 |
1531039 | CIF | C70.45 H104.45 Cl13.38 N8 O12.05 | P 1 | 14.3767; 24.3477; 24.5528 90.131; 93.427; 91.09 | 8577.5 | Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R. Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties Chem. Sci., 2016, 7, 183 |
1532462 | CIF | C16 H22 N2 O | P 1 21/n 1 | 14.4834; 6.1063; 16.8547 90; 104.786; 90 | 1441.27 | Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol., 2016, 6, 1410 |
1532463 | CIF | C15 H20 N2 O2 | P 1 21/n 1 | 14.476; 6.097; 16.8438 90; 104.788; 90 | 1437.39 | Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol., 2016, 6, 1410 |
1532464 | CIF | C11 H10 Co N O4 | P 6/m m m | 21.5645; 21.5645; 9.4379 90; 90; 120 | 3800.9 | Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S. New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings Catal. Sci. Technol., 2016, 6, 1384 |
1532467 | CIF | C11 H7 F2 N3 O3 S | C 1 2 1 | 26.261; 5.162; 9.7804 90; 111.188; 90 | 1236.2 | Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells Chem. Sci., 2016, 7, 256 |
1532488 | CIF | C15 H10 Br N3 O2 | P -1 | 5.2396; 10.766; 12.305 97.556; 93.106; 95.573 | 683.3 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
1532489 | CIF | C18 H15 N3 S | P 1 21/c 1 | 9.3536; 17.701; 9.8752 90; 111.505; 90 | 1521.2 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
1532503 | CIF | C38 H80 Fe2 O6 P2 Si8 | P 1 21/c 1 | 15.6926; 17.5019; 21.2042 90; 110.633; 90 | 5450.2 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
1532504 | CIF | C26 H52 Fe N O3 P Si4 | P -1 | 9.4542; 11.3877; 16.3807 75.408; 87.846; 79.154 | 1676.1 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
1532505 | CIF | C22 H49 Fe O3 P Si5 | P -1 | 11.1846; 11.2283; 14.972 83.758; 76.946; 60.902 | 1600.5 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
1532506 | CIF | C37 H56 Fe O3 P Si4 Sn | P 21 21 21 | 11.387; 14.883; 24.983 90; 90; 90 | 4233.9 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
1534126 | CIF | C16 H13 N O3 | P b c a | 7.2317; 11.2958; 32.232 90; 90; 90 | 2633 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534127 | CIF | C17 H15 N O3 | P 1 21/c 1 | 5.792; 23.556; 11.041 90; 113.83; 90 | 1378 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534128 | CIF | C18 H19 N O5 | P 1 21 1 | 11.1595; 6.7253; 11.4275 90; 103.413; 90 | 834.25 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534129 | CIF | C23 H19 N O4 | P 21 21 21 | 7.6287; 11.5801; 20.615 90; 90; 90 | 1821.2 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534130 | CIF | C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 | P -1 | 13.668; 15.095; 19.109 79.735; 89.183; 63.926 | 3475 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534131 | CIF | C64 H54 B2 O4 | P -1 | 7.553; 12.357; 12.549 83.18; 74.39; 84.51 | 1117.6 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
1534132 | CIF | C96 H118 B2 O4 | P -1 | 11.769; 14.134; 23.62 84.13; 87.54; 84.78 | 3890 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
1534133 | CIF | C102 H130 B2 K3 N6 O18 | P 1 21/n 1 | 15.4324; 29.3994; 21.2075 90; 97.632; 90 | 9536.7 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
1534134 | CIF | C88 H82 B2 N4 O4 | P 1 21/c 1 | 17.0469; 17.6986; 23.1757 90; 99.4921; 90 | 6896.5 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
1534349 | CIF | C30 H54 O3 Si4 | P 1 21/c 1 | 11.113; 35.197; 9.482 90; 102.084; 90 | 3626.6 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
1534350 | CIF | C24 H64 O3 Si8 | P 1 21/c 1 | 16.614; 18.221; 14.051 90; 105.69; 90 | 4095 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
1534393 | CIF | C86 H74 Cl4 F12 N6 O5 P2 | P 1 21/n 1 | 11.1928; 21.893; 32.961 90; 92.044; 90 | 8072 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
1534394 | CIF | C106 H97 Cl21 F12 N6 O6 P2 | P -1 | 11.354; 17.925; 30.835 103.44; 93.42; 103.76 | 5884 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
1534395 | CIF | C99 H88 F6 N5 O7 P | I 41/a | 33.379; 33.379; 40.257 90; 90; 90 | 44853 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
1534396 | CIF | C193 H178 Cl2 N8 O36 | P -1 | 14.0049; 23.6564; 26.0431 71.035; 82.975; 82.271 | 8057.2 | Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles Chem. Sci., 2016, 7, 525 |
1534397 | CIF | C30 H25 Cl3 N2 S2 | P 65 | 13.8888; 13.8888; 25.754 90; 90; 120 | 4302.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1534398 | CIF | C31 H32 N2 O2 S2 | P 1 21/c 1 | 22.178; 7.454; 18.052 90; 104.184; 90 | 2893.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1534399 | CIF | C32 H31 F3 N2 O4 S2 | P 1 21/c 1 | 20.1561; 9.0577; 17.1173 90; 93.287; 90 | 3119.9 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1534400 | CIF | C64 H62 N6 O2 S4 | P b c a | 18.22; 12.964; 24.265 90; 90; 90 | 5731 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1536868 | CIF | C44 H36 Cl3 Dy N4 O10 Zn2 | C 1 2/c 1 | 16.203; 22.757; 14.315 90; 104.77; 90 | 5104 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
1536869 | CIF | C45 H40 Br3 Cl0 Dy N4 O12 Zn2 | P -1 | 10.6898; 15.3759; 16.5328 92.178; 108.24; 99.096 | 2537.31 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
1536870 | CIF | C88 H76 Br8 Dy2 N8 O18 Zn5 | P 1 21/n 1 | 12.6367; 16.8613; 23.4058 90; 104.117; 90 | 4836.5 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
1536871 | CIF | C44 H48 Cl3 Dy N4 O8 Zn2 | C 1 2/c 1 | 16.2823; 23.8976; 14.0704 90; 104.843; 90 | 5292.2 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
1536875 | CIF | C66 H90 N2 O8 Zn2 | P b c a | 10.881; 19.554; 29.442 90; 90; 90 | 6264.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536876 | CIF | C38 H50 N2 O4 Zn | P 1 21/c 1 | 10.671; 19.665; 17.723 90; 97.137; 90 | 3690 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536877 | CIF | C32 H46 N2 O4 Zn | P b c a | 12.2437; 18.3841; 30.3846 90; 90; 90 | 6839.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536878 | CIF | C36 H52 N4 O4 Zn | P 1 21/c 1 | 10.6541; 19.7432; 17.8899 90; 99.193; 90 | 3714.7 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536879 | CIF | C47 H56 N2 O4 Zn | P 1 21/c 1 | 10.404; 32.256; 13.672 90; 111.664; 90 | 4264.1 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536880 | CIF | C76 H96 N2 O8 Zn2 | P 1 21/n 1 | 12.617; 18.443; 15.543 90; 102.81; 90 | 3526.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536881 | CIF | C31 H36 N O2 Zn0.5 | P 1 21/n 1 | 7.6947; 13.1945; 27.271 90; 95.507; 90 | 2756 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536882 | CIF | C127.8 H160.2 N3 O12 Zn3 | P -1 | 15.4724; 15.4781; 28.908 78.73; 88.358; 60.122 | 5867.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1538431 | CIF | C17 H8 N2 O3 S | P 1 21/c 1 | 15.8828; 6.8328; 13.9502 90; 107.844; 90 | 1441.1 | Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior Chem. Sci., 2016, 7, 655 |
1539136 | CIF | C45 H56 Cl2 N8 O5 Zn | P -1 | 12.6986; 12.8906; 14.9043 90.191; 108.659; 92.048 | 2309.7 | Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide Catal. Sci. Technol., 2016, 6, 1779 |
1540023 | CIF | C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 | P -1 | 30.518; 31.449; 54.722 81.113; 76.27; 68.114 | 47215 | Metherell, Alexander J.; Ward, Michael D. Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component Chem. Sci., 2016, 7, 910 |
1540026 | CIF | C35 H23 N2 O6 P W | P -1 | 8.8558; 19.929; 19.9303 61.0439; 87.8491; 84.3858 | 3062.77 | Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2085-2094 |
1540027 | CIF | C23 H27 Cr N2 O6 P Si2 | F d d 2 | 21.2057; 52.0922; 9.9308 90; 90; 90 | 10970.1 | Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2085-2094 |
1540028 | CIF | C23 H27 Cl2 N2 O5 P Si2 W Zn | P -1 | 8.7858; 10.8025; 17.9022 77.25; 86.378; 66.964 | 1524.5 | Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2085-2094 |
1540034 | CIF | C32 H28 F6 N8 O4 Zn | P -1 | 8.8018; 9.2775; 11.3673 82.433; 68.031; 67.635 | 796 | Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem., 2016, 18, 1524 |
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