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 |
---|---|---|---|---|---|---|
1543756 | CIF | C77 H77 Cl2.99 N6 Ni | C 1 2/c 1 | 36.653; 21.504; 17.115 90; 98.833; 90 | 13330 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543757 | CIF | C84.5 H83 N5 Ni O | P 1 21/n 1 | 21.181; 10.751; 29.482 90; 100.128; 90 | 6609 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543758 | CIF | C75 H77 Cl1.2 N5 Ni O1.3 | P -1 | 12.375; 16.832; 18.491 110.391; 98.378; 106.725 | 3325 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543759 | CIF | C74.75 H73.75 Cl4.25 N5 Ni O | P -1 | 18.141; 20.0791; 20.299 62.0374; 79.03; 87.782 | 6400.6 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543760 | CIF | C87 H101 Cl10 N5 Ni O Sb | I 41/a | 57.941; 57.941; 10.6631 90; 90; 90 | 35798 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543761 | CIF | C165 H150 Cl19 N10 Ni2 O5 | C 1 2/c 1 | 72.72; 13.4081; 33.152 90; 102.869; 90 | 31512 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543762 | CIF | C74.5 H76 Cl9 N5 Ni Sb | P 1 21/n 1 | 27.888; 9.758; 29.846 90; 113.508; 90 | 7448 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
1543770 | CIF | C74 H79.5 F12 N8.5 O5 P2 Zn | P -1 | 14.343; 14.782; 18.878 102.538; 103.764; 97.046 | 3730 | 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 |
1543771 | CIF | C85 H75.5 F12 N10.5 O4 P2 Zn | P -1 | 13.732; 15.892; 19.26 103.178; 90.598; 91.07 | 4091 | 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 |
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 |
1543854 | CIF | C31 H79 Gd2 K N4 Si8 | P 1 21/n 1 | 14.17; 14.2848; 25.4039 90; 95.518; 90 | 5118.3 | Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science, 2017, 8, 231-240 |
1543855 | CIF | C31 H79 Dy2 K N4 Si8 | P 1 21/n 1 | 14.1259; 14.2954; 25.2343 90; 95.2741; 90 | 5074.1 | Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science, 2017, 8, 231-240 |
1543856 | CIF | C31 H79 Er2 K N4 Si8 | P 1 21/n 1 | 14.0946; 14.2965; 25.1055 90; 95.17; 90 | 5038.3 | Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science, 2017, 8, 231-240 |
1543857 | CIF | C39 H95 Er2 K N4 O2 Si8 | C 1 2/c 1 | 20.1042; 18.7574; 16.5696 90; 107.851; 90 | 5947.6 | Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science, 2017, 8, 231-240 |
1543891 | CIF | C18 H22 N O2 Rh | P 1 21/c 1 | 7.6555; 13.0617; 16.9622 90; 96.793; 90 | 1684.21 | 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 |
1543892 | CIF | C20 H12 N2 O S2 | P b c a | 7.3899; 13.5531; 32.123 90; 90; 90 | 3217.3 | 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 |
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 |
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 |
1543908 | CIF | C26 H32 N2 O2 | C 1 2/c 1 | 40.091; 7.8348; 16.111 90; 113.26; 90 | 4649.2 | 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 |
1543909 | CIF | C19 H24 O6 | P 21 21 21 | 8.2463; 10.3683; 19.3151 90; 90; 90 | 1651.44 | 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 |
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 |
1543912 | CIF | C19 H22 O6 | P 21 21 21 | 8.2576; 10.4049; 19.0995 90; 90; 90 | 1641.02 | 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 |
1543913 | CIF | C19 H23 Br O5 | P 21 21 21 | 7.6137; 9.3584; 24.1592 90; 90; 90 | 1721.39 | 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 |
1543914 | CIF | C19 H24 O5 | P 21 21 21 | 6.2703; 11.2931; 23.177 90; 90; 90 | 1641.2 | 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 |
1543915 | CIF | C19 H24 O5 | P 21 21 21 | 10.4079; 14.7042; 21.8592 90; 90; 90 | 3345.33 | 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 |
1543941 | CIF | C82 H14 O2 | P 1 21/c 1 | 10.9852; 20.5331; 19.4487 90; 91.193; 90 | 4385.9 | Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science, 2017, 8, 181-188 |
1543942 | CIF | C88 H24 O4 | P 42/m b c | 26.123; 26.123; 14.146 90; 90; 90 | 9653 | Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science, 2017, 8, 181-188 |
1543943 | CIF | C91 H31 O4 | P 1 21/n 1 | 10.147; 23.719; 21.227 90; 102.193; 90 | 4993.6 | Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science, 2017, 8, 181-188 |
1543947 | CIF | C37 H28 Cl2 F10 Ir N4 O P | P -1 | 10.5808; 13.0767; 14.3976 93.447; 106.228; 97.527 | 1886.41 | Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci., 2017, 8, 631 |
1543948 | CIF | C35 H26 Cl2 F10 Ir N4 O2 P | P 1 21/c 1 | 9.3965; 39.4086; 9.8195 90; 104.761; 90 | 3516.18 | Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci., 2017, 8, 631 |
1543949 | CIF | C34 H27.5 F3 Ir N4 O2 P0.5 | C 1 2/c 1 | 39.1832; 9.6185; 19.2745 90; 109.894; 90 | 6830.7 | Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci., 2017, 8, 631 |
1544001 | CIF | C88 H70 O | P 1 21/c 1 | 15.505; 34.4906; 17.2521 90; 112.99; 90 | 8493.2 | Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science, 2017, 8, 1068-1074 |
1544002 | CIF | C47 H28 O5 | P 1 21/c 1 | 7.5395; 34.5192; 11.7823 90; 100.084; 90 | 3019.1 | Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science, 2017, 8, 1068-1074 |
1544003 | CIF | C46 H22 Cl2 O5 | P -1 | 11.664; 12.471; 13.809 116.004; 114.439; 91.219 | 1592.4 | Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science, 2017, 8, 1068-1074 |
1544004 | CIF | C50 H33 O5 | P -1 | 13.1702; 17.3964; 17.5084 63.486; 70.365; 81.999 | 3380.5 | Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science, 2017, 8, 1068-1074 |
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 |
1544006 | CIF | C51 H88 N Na Ni O14 P2 | P 1 21/n 1 | 16.7564; 15.4421; 21.3159 90; 96.792; 90 | 5476.9 | Yoo, Changho; Lee, Yunho Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe Chem. Sci., 2017, 8, 600 |
1544007 | CIF | C53 H80 Fe N2 Ni O2 P4 | P 1 21/n 1 | 10.1896; 26.231; 20.6309 90; 100.088; 90 | 5429.1 | Yoo, Changho; Lee, Yunho Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe Chem. Sci., 2017, 8, 600 |
1544031 | CIF | C144 H72 Cl3 Hf12 Ir3 N12 O64 | I m -3 m | 38.3207; 38.3207; 38.3207 90; 90; 90 | 56273 | Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity. Chemical science, 2017, 8, 775-780 |
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 |
1544138 | CIF | C28 H33 N O5 | P 21 21 21 | 6.003; 14.84; 28.93 90; 90; 90 | 2577 | Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres. Chemical science, 2017, 8, 627-630 |
1544149 | CIF | C47 H43 B2 Cl2 F20 P | P -1 | 10.1634; 14.7985; 17.1628 96.74; 97.62; 105.399 | 2435.05 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544150 | CIF | C48 H41 B2 Cl2 F20 O2 P | P 1 21/n 1 | 13.061; 22.03; 18.545 90; 91.787; 90 | 5333.4 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544151 | CIF | C29 H8 B2 F20 | P 1 21/c 1 | 16.4031; 6.7783; 25.0981 90; 98.45; 90 | 2760.2 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544152 | CIF | C29 H8 B2 F20 | P 1 21/c 1 | 10.7742; 9.7124; 26.4759 90; 97.347; 90 | 2747.8 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544153 | CIF | C42 H39 B2 Cl2 F20 P | P 1 21/n 1 | 13.0097; 21.1601; 17.7134 90; 110.035; 90 | 4581.2 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544154 | CIF | C41 H37 B2 F20 P | P 1 21/n 1 | 12.8848; 21.515; 17.7497 90; 109.796; 90 | 4629.7 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544155 | CIF | C44 H39 B2 Cl4 F20 O2 P | P 1 21/n 1 | 12.8388; 20.0253; 18.7529 90; 97.393; 90 | 4781.3 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544156 | CIF | C42 H35 B2 F20 O2 P | P -1 | 10.0179; 11.2774; 19.6359 89.016; 87.552; 73.104 | 2120.66 | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science, 2017, 8, 1097-1104 |
1544158 | CIF | C34 H33 F4 I N4 O | P 1 21/n 1 | 12.469; 17.723; 15.596 90; 112.991; 90 | 3172.8 | Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci., 2017, 8, 938 |
1544159 | CIF | C32 H34 F4 I N3 O2 | P 21 21 21 | 8.4431; 11.7892; 31.416 90; 90; 90 | 3127.1 | Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci., 2017, 8, 938 |
1544160 | CIF | C37 H42 F4 I N5 O | I 1 2/a 1 | 20.258; 13.9884; 26.734 90; 103.187; 90 | 7376 | Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci., 2017, 8, 938 |
1544161 | CIF | C29 H28 F4 I N3 O | P 1 21/n 1 | 25.213; 13.978; 27.637 90; 112.879; 90 | 8974 | Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci., 2017, 8, 938 |
1544162 | CIF | C29 H34 N2 O6 S | I 41/a | 29.2891; 29.2891; 18.1917 90; 90; 90 | 15605.8 | Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B. Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry. Chemical science, 2017, 8, 697-700 |
1544182 | CIF | C105 H192 Dy4 N12 O24 | C 1 2/c 1 | 28.1117; 20.1279; 22.8674 90; 105.985; 90 | 12438.7 | Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet. Chemical science, 2017, 8, 1178-1185 |
1544183 | CIF | C100 H136 N6 P4 Ti2 | C 1 2/c 1 | 30.5846; 15.6055; 25.1965 90; 129.98; 90 | 9215.1 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544184 | CIF | C110 H176 N6 P6 Ti2 | I 1 2/a 1 | 18.5929; 12.9042; 22.7421 90; 98.499; 90 | 5396.5 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544185 | CIF | C47 H71 N3 P2 Si Ti | P 1 21/c 1 | 30.336; 12.1037; 29.271 90; 118.588; 90 | 9437.3 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544186 | CIF | C48 H72.8 N3 O P2 Ti | P 1 21/c 1 | 15.3708; 12.8618; 23.2563 90; 92.737; 90 | 4592.4 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544187 | CIF | C44 H62 N2 O P2 Ti | P 1 21/c 1 | 13.5295; 19.597; 16.8163 90; 111.694; 90 | 4142.8 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544188 | CIF | C50 H77 N3 P2 Ti | P 21 21 21 | 12.7371; 14.7015; 26.1005 90; 90; 90 | 4887.4 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
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 |
1544197 | CIF | C34 H33 B2 F8 N5 O Pd | P -1 | 9.1646; 10.8129; 17.358 86.495; 85.651; 84.191 | 1703.87 | 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 |
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 |
1544199 | CIF | C60 H55 B2 F8 N6 O2 Pd | P -1 | 13.2547; 14.2678; 15.5271 95.506; 93.223; 105.522 | 2805.98 | 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 |
1544200 | CIF | C23 H21 N3 O | P 1 21/n 1 | 11.3565; 11.5389; 15.0221 90; 107.367; 90 | 1878.78 | 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 |
1544201 | CIF | C27 H20 F N3 O | P -1 | 12.2208; 12.9781; 15.6515 90.05; 96.32; 117.495 | 2184.84 | 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 |
1544202 | CIF | C30 H27 N3 O | P 1 21/c 1 | 18.8592; 7.68843; 18.4442 90; 114.263; 90 | 2438.14 | 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 |
1544203 | CIF | C54 H40 F2 N6 O2 Pd | P -1 | 10.7056; 16.7664; 18.6108 97.072; 99.663; 102.242 | 3174.3 | 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 |
1544204 | CIF | C57 H41.5 F8 N6.5 O8 S2 Zn | P -1 | 15.7265; 20.4033; 21.0479 82.8458; 82.6021; 69.0081 | 6230.5 | 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 |
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 |
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 |
1544207 | CIF | C18 H13 Au F6 I N2 Sb | P 1 21/c 1 | 14.26; 20.667; 14.033 90; 104.38; 90 | 4006 | 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 |
1544209 | CIF | C99 H71 Cl3 N6 | P -1 | 10.6057; 13.3692; 14.5882 80.422; 78.548; 70.256 | 1897 | Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence. Chemical science, 2017, 8, 953-960 |
1544210 | CIF | C42 H22 F14 N2 Na O7 | P -1 | 10.857; 15.141; 17.359 108.566; 96.63; 96.91 | 2649.3 | 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 |
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 |
1544221 | CIF | C57 H87 Cu N5 O6 | P -1 | 12.6607; 15.4354; 16.1838 101.482; 112.975; 93.732 | 2817.6 | Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B. Reactivity of the copper(iii)-hydroxide unit with phenols Chem. Sci., 2017, 8, 1075 |
1544232 | CIF | C25 H20 F3 N3 O4 S2 | P 1 21/n 1 | 6.848; 20.4301; 17.057 90; 90.304; 90 | 2386.33 | 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 |
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 |
1544234 | CIF | C18 H17 F3 N2 O S | P 1 21/n 1 | 15.2695; 5.9545; 19.0281 90; 91.54; 90 | 1729.45 | 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 |
1544235 | CIF | C22 H25 N O3 | P 21 21 21 | 6.05221; 17.0223; 19.5981 90; 90; 90 | 2019.05 | Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes. Chemical science, 2017, 8, 1238-1242 |
1544236 | CIF | C22 H26 N2 O2 | P 1 21 1 | 9.20362; 10.9688; 19.3712 90; 100.345; 90 | 1923.79 | Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes. Chemical science, 2017, 8, 1238-1242 |
1544237 | CIF | C64 H102 Dy2 O8 | P b c a | 19.3566; 15.6297; 20.726 90; 90; 90 | 6270.4 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544238 | CIF | C64 H102 O8 Y2 | P b c a | 19.3525; 15.6285; 20.6896 90; 90; 90 | 6257.6 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544239 | CIF | C64 H102 Gd2 O8 | P b c a | 19.3419; 15.68151; 20.772 90; 90; 90 | 6300.36 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544247 | CIF | C26 H17 N3 O6 | P 1 21/n 1 | 14.7815; 9.0701; 21.2106 90; 106.718; 90 | 2723.5 | Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci., 2017, 8, 1163 |
1544248 | CIF | C26 H16 N4 O8 | P 42/n | 19.9155; 19.9155; 13.4286 90; 90; 90 | 5326.15 | Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci., 2017, 8, 1163 |
1544249 | CIF | C26 H18 N2 O4 | P 1 21/c 1 | 10.52308; 8.79827; 22.9441 90; 95.4899; 90 | 2114.53 | Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci., 2017, 8, 1163 |
1544257 | CIF | C37 H59 Na O6 Si4 | C 1 2/c 1 | 23.272; 9.7485; 37.173 90; 94.149; 90 | 8411 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
1544258 | CIF | C16 H39 Li O6 Si3 | C 1 c 1 | 9.531; 17.403; 15.039 90; 90.873; 90 | 2494 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
1544259 | CIF | C15 H39 Ge Na O6 Si3 | P 1 21/c 1 | 15.729; 9.9209; 17.212 90; 90.3515; 90 | 2685.8 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
1544260 | CIF | C15 H39 Ge K O6 Si3 | P 1 21/n 1 | 8.141; 19.245; 16.727 90; 90.528; 90 | 2620.6 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
1544261 | CIF | C16 H39 K O6 Si3 | P 1 21/n 1 | 8.698; 18.417; 16.289 90; 90.2; 90 | 2609 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
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 |
1544277 | CIF | C17 H31 I O P2 | P 1 21/c 1 | 10.0682; 13.5159; 14.7514 90; 92.352; 90 | 2005.69 | 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 |
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 |
1544279 | CIF | C14 H22 Cl6 I2 P2 | C 1 2/c 1 | 23.5655; 10.2998; 20.9628 90; 98.051; 90 | 5037.9 | 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 |
1544280 | CIF | C27 H46 Ni O2 P2 | P 21 21 21 | 9.6408; 12.6202; 22.256 90; 90; 90 | 2707.9 | 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 |
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 |
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