Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 8
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1553650 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 6.99732; 6.99732; 7.49177 90; 90; 90 | 366.816 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
| 1553649 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 7.00122; 7.00122; 7.49794 90; 90; 90 | 367.527 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
| 1553648 | CIF | C8 H8 F6 N4 Ni Si Xe0.34 | P 4/m m m | 7.0187; 7.0187; 7.5098 90; 90; 90 | 369.95 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
| 1553651 | CIF | C8 H8 F6 Fe N4 O Si | P 4/m m m | 7.1831; 7.1831; 7.5839 90; 90; 90 | 391.31 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
| 1544510 | CIF | C16 H20 Cl2 Ir N2 O2 | P -1 | 7.8768; 8.0811; 8.6738 68.1; 66.086; 61.433 | 432.1 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544648 | CIF | C18 H24 Sb2 | P -1 | 5.174; 7.9835; 11.2694 88.921; 79.679; 73.714 | 439.35 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1545026 | CIF | C10 H8 S2 | P 1 21/c 1 | 5.81321; 7.5432; 10.2777 90; 93.249; 90 | 449.95 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1544005 | CIF | C2.545 H1.636 N0.364 O0.182 | P -1 | 6.5174; 9.8469; 10.3476 113.309; 95.997; 104.217 | 575.83 | Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission. Chemical science, 2017, 8, 577-582 |
| 1545175 | CIF | C14 H14 O4 | P 1 21 1 | 9.16074; 6.01447; 10.6243 90; 92.073; 90 | 584.984 | Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science, 2017, 8, 2904-2913 |
| 1545519 | CIF | C20 H18 Cu F6 N10 O8 S2 | P -1 | 7.3568; 10.0126; 10.8607 110.106; 95.309; 106.922 | 702.02 | Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260 |
| 1544992 | CIF | C12 H13 F3 O2 S2 | P -1 | 5.6786; 8.4547; 15.2755 95.353; 96.231; 102.129 | 707.68 | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci., 2017, 8, 2610 |
| 1545028 | CIF | C18 H12 S4 | P 1 21/n 1 | 9.316; 9.10329; 9.6346 90; 110.853; 90 | 763.55 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1545181 | CIF | C2.5 H2.5 Np0.12 | I -4 2 m | 8.598; 8.598; 10.5541 90; 90; 90 | 780.22 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
| 1543910 | CIF | C19 H22 O4 | P 1 21 1 | 11.7563; 5.3917; 12.861 90; 104.529; 90 | 789.1 | Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science, 2017, 8, 507-514 |
| 1543911 | CIF | C19 H22 O5 | P 1 21 1 | 6.9222; 11.147; 10.4409 90; 94.07; 90 | 803.61 | Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science, 2017, 8, 507-514 |
| 1543894 | CIF | C21 H14 N2 O2 S | P -1 | 4.6897; 12.449; 15.119 109.35; 96.794; 99.101 | 808.4 | Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science, 2017, 8, 169-173 |
| 1543772 | CIF | C40 H34 N4 O2 | P 1 | 5.559; 11.24; 13.638 75.767; 83.93; 81.445 | 814.7 | Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system. Chemical science, 2017, 8, 142-149 |
| 1544809 | CIF | C14 H24 F6 Fe N24 O6 S2 | P -1 | 7.543; 11.336; 11.424 63.483; 89.755; 88.763 | 873.9 | Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science, 2017, 8, 2290-2295 |
| 1544512 | CIF | C16 H23 Cl2 Ir N2 O3 | P -1 | 8.8884; 9.6675; 12.5862 95.132; 109.482; 110.349 | 929.79 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1545091 | CIF | C18 H17 F5 N O5 P | P 1 | 5.2533; 12.0015; 16.3874 74.879; 84.088; 80.148 | 980.85 | McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana The protecting-group free selective 3′-functionalization of nucleosides Chem. Sci., 2017, 8, 2804 |
| 1544984 | CIF | C34 H30 Cu4 I4 N6 S4 | P -1 | 8.811; 10.0997; 12.544 101.523; 102.995; 104.283 | 1014.82 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544262 | CIF | C13 H10 N2 O2 | P 21 21 21 | 5.2167; 10.4562; 18.815 90; 90; 90 | 1026.3 | Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis Chem. Sci., 2017, 8, 1303 |
| 1545144 | CIF | C26 H26 O3 | P 1 21 1 | 12.8937; 6.0514; 14.068 90; 107.517; 90 | 1046.75 | Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage. Chemical science, 2017, 8, 3002-3006 |
| 1544285 | CIF | C14 H10 N4 | P 1 21/n 1 | 9.3816; 6.7781; 16.9307 90; 99.5145; 90 | 1061.8 | Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases. Chemical science, 2017, 8, 1337-1343 |
| 1544198 | CIF | C46 H42 N6 O2 Pd | P -1 | 8.88787; 10.65997; 12.1038 101.284; 100.453; 102.182 | 1069.19 | Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science, 2017, 8, 85-90 |
| 1545179 | CIF | C8 H8 Br N5 O S | P 1 21/n 1 | 15.3538; 4.3958; 17.1443 90; 112.351; 90 | 1070.18 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993 |
| 1544851 | CIF | C24 H28 N2 O10 | P 1 21/c 1 | 6.241; 27.3263; 6.9456 90; 99.4148; 90 | 1168.57 | Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin Piezochromism and hydrochromism through electron transfer: new stories for viologen materials Chem. Sci., 2017, 8, 2758 |
| 1544314 | CIF | C26 H23 O P S2 | P -1 | 8.4616; 11.5086; 12.4957 83.427; 77.321; 83.71 | 1174.89 | Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle Chem. Sci., 2017, 8, 1309 |
| 1545183 | CIF | C15 H15 Np | C m c 21 | 14.1208; 8.7037; 9.5917 90; 90; 90 | 1178.85 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
| 1544458 | CIF | C11 H11 Cl N2 O5 | P 1 21/c 1 | 6.98145; 21.3099; 8.10016 90; 97.9679; 90 | 1193.46 | Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides. Chemical science, 2017, 8, 1570-1575 |
| 1545178 | CIF | C10 H11 N3 O6 S | P 1 21 1 | 6.8159; 9.972; 17.7839 90; 98.748; 90 | 1194.68 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993 |
| 1544462 | CIF | C27 H32 N2 O7 | P -1 | 9.067; 9.572; 14.08 89.833; 82.205; 85.541 | 1207 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1545176 | CIF | C13 H20 O4 | P 21 21 21 | 5.5604; 6.6895; 33.0826 90; 90; 90 | 1230.55 | Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science, 2017, 8, 2904-2913 |
| 1544032 | CIF | C27 H32 F N S2 | P -1 | 5.5352; 13.7138; 17.7912 68.191; 82.836; 80.889 | 1234.83 | Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells. Chemical science, 2017, 8, 734-741 |
| 1544233 | CIF | C26 H22 F3 N3 O4 S2 | P -1 | 7.4653; 9.9343; 17.6618 89.239; 85.681; 72.865 | 1248.09 | Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique The dual role of thiourea in the thiotrifluoromethylation of alkenes. Chemical science, 2017, 8, 1195-1199 |
| 1544556 | CIF | C27 H36 N2 O2 Si2 | P -1 | 7.221; 11.79; 16.389 110.915; 93.663; 94.99 | 1291.6 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544211 | CIF | C14 H5 F6 N O2 | P -1 | 7.5465; 7.9565; 22.733 84.375; 89.317; 72.275 | 1293.7 | Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination Chem. Sci., 2017, 8, 1469 |
| 1544206 | CIF | C13 H8 Au I2 N | P 1 21/c 1 | 10.4599; 13.687; 10.111 90; 116.27; 90 | 1298 | Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci., 2017, 8, 946 |
| 1543893 | CIF | C15 H12 N2 O2 S | P 21 21 21 | 4.7941; 15.333; 17.698 90; 90; 90 | 1300.9 | Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science, 2017, 8, 169-173 |
| 1544823 | CIF | C15 H14 N2 O2 | P 1 21/n 1 | 8.73; 13.396; 11.372 90; 101.968; 90 | 1301 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
| 1544661 | CIF | C17 H17 N | P 21 21 21 | 6.077; 7.7665; 27.619 90; 90; 90 | 1303.5 | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. Chemical science, 2017, 8, 1981-1985 |
| 1545180 | CIF | C10 H15.5 N4 O6.75 S | P 1 | 8.0883; 10.9716; 16.0771 72.07; 80.273; 86.279 | 1337.78 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993 |
| 1545174 | CIF | C15 H12 B Cl O3 | P 21 21 21 | 13.0121; 5.2339; 19.82 90; 90; 90 | 1349.82 | Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids. Chemical science, 2017, 8, 3026-3030 |
| 1544826 | CIF | C17 H17 N O | P 1 21/n 1 | 6.3989; 11.27072; 19.0731 90; 92.0107; 90 | 1374.71 | Kim, Jungwon; Hong, Soon Hyeok Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones. Chemical science, 2017, 8, 2401-2406 |
| 1544205 | CIF | C17 H13 N3 O2 | P c a 21 | 13.283; 13.585; 7.6811 90; 90; 90 | 1386.1 | Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci., 2017, 8, 946 |
| 1544196 | CIF | C18 H17 N O2 | P 1 21/n 1 | 8.5035; 7.1303; 23.6793 90; 95.742; 90 | 1428.53 | Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation. Chemical science, 2017, 8, 1015-1020 |
| 1545162 | CIF | C53 H90 N10 O11 | P 1 | 9.302; 9.7698; 16.9249 84.505; 86.765; 71.597 | 1452.19 | Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal. Chemical science, 2017, 8, 3007-3018 |
| 1545369 | CIF | C19 H30 B N O3 | P 31 | 9.7577; 9.7577; 17.8748 90; 90; 120 | 1473.9 | Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529 |
| 1544278 | CIF | C14 H26 P2 | P 1 21/n 1 | 8.4848; 12.9532; 14.0671 90; 105.04; 90 | 1493.09 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1545516 | CIF | C16 H14 I2 | P 1 21/c 1 | 11.4988; 15.9491; 8.2449 90; 97.906; 90 | 1497.71 | Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547 |
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