Crystallography Open Database

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1543756 CIFC77 H77 Cl2.99 N6 NiC 1 2/c 136.653; 21.504; 17.115
90; 98.833; 90		13330Fukui, 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 CIFC84.5 H83 N5 Ni OP 1 21/n 121.181; 10.751; 29.482
90; 100.128; 90		6609Fukui, 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 CIFC75 H77 Cl1.2 N5 Ni O1.3P -112.375; 16.832; 18.491
110.391; 98.378; 106.725		3325Fukui, 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 CIFC74.75 H73.75 Cl4.25 N5 Ni OP -118.141; 20.0791; 20.299
62.0374; 79.03; 87.782		6400.6Fukui, 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 CIFC87 H101 Cl10 N5 Ni O SbI 41/a57.941; 57.941; 10.6631
90; 90; 90		35798Fukui, 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 CIFC165 H150 Cl19 N10 Ni2 O5C 1 2/c 172.72; 13.4081; 33.152
90; 102.869; 90		31512Fukui, 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 CIFC74.5 H76 Cl9 N5 Ni SbP 1 21/n 127.888; 9.758; 29.846
90; 113.508; 90		7448Fukui, 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 CIFC74 H79.5 F12 N8.5 O5 P2 ZnP -114.343; 14.782; 18.878
102.538; 103.764; 97.046		3730Tian, 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 CIFC85 H75.5 F12 N10.5 O4 P2 ZnP -113.732; 15.892; 19.26
103.178; 90.598; 91.07		4091Tian, 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 CIFC40 H34 N4 O2P 15.559; 11.24; 13.638
75.767; 83.93; 81.445		814.7Tian, 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 CIFC31 H79 Gd2 K N4 Si8P 1 21/n 114.17; 14.2848; 25.4039
90; 95.518; 90		5118.3Harriman, 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 CIFC31 H79 Dy2 K N4 Si8P 1 21/n 114.1259; 14.2954; 25.2343
90; 95.2741; 90		5074.1Harriman, 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 CIFC31 H79 Er2 K N4 Si8P 1 21/n 114.0946; 14.2965; 25.1055
90; 95.17; 90		5038.3Harriman, 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 CIFC39 H95 Er2 K N4 O2 Si8C 1 2/c 120.1042; 18.7574; 16.5696
90; 107.851; 90		5947.6Harriman, 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 CIFC18 H22 N O2 RhP 1 21/c 17.6555; 13.0617; 16.9622
90; 96.793; 90		1684.21Wu, 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 CIFC20 H12 N2 O S2P b c a7.3899; 13.5531; 32.123
90; 90; 90		3217.3Wu, 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 CIFC15 H12 N2 O2 SP 21 21 214.7941; 15.333; 17.698
90; 90; 90		1300.9Wu, 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 CIFC21 H14 N2 O2 SP -14.6897; 12.449; 15.119
109.35; 96.794; 99.101		808.4Wu, 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 CIFC26 H32 N2 O2C 1 2/c 140.091; 7.8348; 16.111
90; 113.26; 90		4649.2Craig, 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 CIFC19 H24 O6P 21 21 218.2463; 10.3683; 19.3151
90; 90; 90		1651.44Craig, 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 CIFC19 H22 O4P 1 21 111.7563; 5.3917; 12.861
90; 104.529; 90		789.1Craig, 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 CIFC19 H22 O5P 1 21 16.9222; 11.147; 10.4409
90; 94.07; 90		803.61Craig, 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 CIFC19 H22 O6P 21 21 218.2576; 10.4049; 19.0995
90; 90; 90		1641.02Craig, 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 CIFC19 H23 Br O5P 21 21 217.6137; 9.3584; 24.1592
90; 90; 90		1721.39Craig, 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 CIFC19 H24 O5P 21 21 216.2703; 11.2931; 23.177
90; 90; 90		1641.2Craig, 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 CIFC19 H24 O5P 21 21 2110.4079; 14.7042; 21.8592
90; 90; 90		3345.33Craig, 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 CIFC82 H14 O2P 1 21/c 110.9852; 20.5331; 19.4487
90; 91.193; 90		4385.9Umeyama, 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 CIFC88 H24 O4P 42/m b c26.123; 26.123; 14.146
90; 90; 90		9653Umeyama, 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 CIFC91 H31 O4P 1 21/n 110.147; 23.719; 21.227
90; 102.193; 90		4993.6Umeyama, 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 CIFC37 H28 Cl2 F10 Ir N4 O PP -110.5808; 13.0767; 14.3976
93.447; 106.228; 97.527		1886.41Cao, 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 CIFC35 H26 Cl2 F10 Ir N4 O2 PP 1 21/c 19.3965; 39.4086; 9.8195
90; 104.761; 90		3516.18Cao, 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 CIFC34 H27.5 F3 Ir N4 O2 P0.5C 1 2/c 139.1832; 9.6185; 19.2745
90; 109.894; 90		6830.7Cao, 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 CIFC88 H70 OP 1 21/c 115.505; 34.4906; 17.2521
90; 112.99; 90		8493.2Márquez, 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 CIFC47 H28 O5P 1 21/c 17.5395; 34.5192; 11.7823
90; 100.084; 90		3019.1Márquez, 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 CIFC46 H22 Cl2 O5P -111.664; 12.471; 13.809
116.004; 114.439; 91.219		1592.4Márquez, 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 CIFC50 H33 O5P -113.1702; 17.3964; 17.5084
63.486; 70.365; 81.999		3380.5Márquez, 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 CIFC2.545 H1.636 N0.364 O0.182P -16.5174; 9.8469; 10.3476
113.309; 95.997; 104.217		575.83Zhang, 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 CIFC51 H88 N Na Ni O14 P2P 1 21/n 116.7564; 15.4421; 21.3159
90; 96.792; 90		5476.9Yoo, 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 CIFC53 H80 Fe N2 Ni O2 P4P 1 21/n 110.1896; 26.231; 20.6309
90; 100.088; 90		5429.1Yoo, 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 CIFC144 H72 Cl3 Hf12 Ir3 N12 O64I m -3 m38.3207; 38.3207; 38.3207
90; 90; 90		56273Wang, 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 CIFC27 H32 F N S2P -15.5352; 13.7138; 17.7912
68.191; 82.836; 80.889		1234.83Cho, 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 CIFC28 H33 N O5P 21 21 216.003; 14.84; 28.93
90; 90; 90		2577Nairoukh, 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 CIFC47 H43 B2 Cl2 F20 PP -110.1634; 14.7985; 17.1628
96.74; 97.62; 105.399		2435.05Liu, 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 CIFC48 H41 B2 Cl2 F20 O2 PP 1 21/n 113.061; 22.03; 18.545
90; 91.787; 90		5333.4Liu, 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 CIFC29 H8 B2 F20P 1 21/c 116.4031; 6.7783; 25.0981
90; 98.45; 90		2760.2Liu, 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 CIFC29 H8 B2 F20P 1 21/c 110.7742; 9.7124; 26.4759
90; 97.347; 90		2747.8Liu, 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 CIFC42 H39 B2 Cl2 F20 PP 1 21/n 113.0097; 21.1601; 17.7134
90; 110.035; 90		4581.2Liu, 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 CIFC41 H37 B2 F20 PP 1 21/n 112.8848; 21.515; 17.7497
90; 109.796; 90		4629.7Liu, 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 CIFC44 H39 B2 Cl4 F20 O2 PP 1 21/n 112.8388; 20.0253; 18.7529
90; 97.393; 90		4781.3Liu, 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 CIFC42 H35 B2 F20 O2 PP -110.0179; 11.2774; 19.6359
89.016; 87.552; 73.104		2120.66Liu, 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 CIFC34 H33 F4 I N4 OP 1 21/n 112.469; 17.723; 15.596
90; 112.991; 90		3172.8Maugeri, 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 CIFC32 H34 F4 I N3 O2P 21 21 218.4431; 11.7892; 31.416
90; 90; 90		3127.1Maugeri, 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 CIFC37 H42 F4 I N5 OI 1 2/a 120.258; 13.9884; 26.734
90; 103.187; 90		7376Maugeri, 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 CIFC29 H28 F4 I N3 OP 1 21/n 125.213; 13.978; 27.637
90; 112.879; 90		8974Maugeri, 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 CIFC29 H34 N2 O6 SI 41/a29.2891; 29.2891; 18.1917
90; 90; 90		15605.8Kong, 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 CIFC105 H192 Dy4 N12 O24C 1 2/c 128.1117; 20.1279; 22.8674
90; 105.985; 90		12438.7Pineda, 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 CIFC100 H136 N6 P4 Ti2C 1 2/c 130.5846; 15.6055; 25.1965
90; 129.98; 90		9215.1Grant, 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 CIFC110 H176 N6 P6 Ti2I 1 2/a 118.5929; 12.9042; 22.7421
90; 98.499; 90		5396.5Grant, 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 CIFC47 H71 N3 P2 Si TiP 1 21/c 130.336; 12.1037; 29.271
90; 118.588; 90		9437.3Grant, 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 CIFC48 H72.8 N3 O P2 TiP 1 21/c 115.3708; 12.8618; 23.2563
90; 92.737; 90		4592.4Grant, 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 CIFC44 H62 N2 O P2 TiP 1 21/c 113.5295; 19.597; 16.8163
90; 111.694; 90		4142.8Grant, 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 CIFC50 H77 N3 P2 TiP 21 21 2112.7371; 14.7015; 26.1005
90; 90; 90		4887.4Grant, 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 CIFC18 H17 N O2P 1 21/n 18.5035; 7.1303; 23.6793
90; 95.742; 90		1428.53Semakul, 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 CIFC34 H33 B2 F8 N5 O PdP -19.1646; 10.8129; 17.358
86.495; 85.651; 84.191		1703.87Adachi, 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 CIFC46 H42 N6 O2 PdP -18.88787; 10.65997; 12.1038
101.284; 100.453; 102.182		1069.19Adachi, 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 CIFC60 H55 B2 F8 N6 O2 PdP -113.2547; 14.2678; 15.5271
95.506; 93.223; 105.522		2805.98Adachi, 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 CIFC23 H21 N3 OP 1 21/n 111.3565; 11.5389; 15.0221
90; 107.367; 90		1878.78Adachi, 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 CIFC27 H20 F N3 OP -112.2208; 12.9781; 15.6515
90.05; 96.32; 117.495		2184.84Adachi, 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 CIFC30 H27 N3 OP 1 21/c 118.8592; 7.68843; 18.4442
90; 114.263; 90		2438.14Adachi, 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 CIFC54 H40 F2 N6 O2 PdP -110.7056; 16.7664; 18.6108
97.072; 99.663; 102.242		3174.3Adachi, 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 CIFC57 H41.5 F8 N6.5 O8 S2 ZnP -115.7265; 20.4033; 21.0479
82.8458; 82.6021; 69.0081		6230.5Adachi, 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 CIFC17 H13 N3 O2P c a 2113.283; 13.585; 7.6811
90; 90; 90		1386.1Serra, 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 CIFC13 H8 Au I2 NP 1 21/c 110.4599; 13.687; 10.111
90; 116.27; 90		1298Serra, 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 CIFC18 H13 Au F6 I N2 SbP 1 21/c 114.26; 20.667; 14.033
90; 104.38; 90		4006Serra, 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 CIFC99 H71 Cl3 N6P -110.6057; 13.3692; 14.5882
80.422; 78.548; 70.256		1897Park, 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 CIFC42 H22 F14 N2 Na O7P -110.857; 15.141; 17.359
108.566; 96.63; 96.91		2649.3Shang, 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 CIFC14 H5 F6 N O2P -17.5465; 7.9565; 22.733
84.375; 89.317; 72.275		1293.7Shang, 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 CIFC57 H87 Cu N5 O6P -112.6607; 15.4354; 16.1838
101.482; 112.975; 93.732		2817.6Dhar, 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 CIFC25 H20 F3 N3 O4 S2P 1 21/n 16.848; 20.4301; 17.057
90; 90.304; 90		2386.33Ricci, 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 CIFC26 H22 F3 N3 O4 S2P -17.4653; 9.9343; 17.6618
89.239; 85.681; 72.865		1248.09Ricci, 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 CIFC18 H17 F3 N2 O SP 1 21/n 115.2695; 5.9545; 19.0281
90; 91.54; 90		1729.45Ricci, 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 CIFC22 H25 N O3P 21 21 216.05221; 17.0223; 19.5981
90; 90; 90		2019.05Lian, 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 CIFC22 H26 N2 O2P 1 21 19.20362; 10.9688; 19.3712
90; 100.345; 90		1923.79Lian, 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 CIFC64 H102 Dy2 O8P b c a19.3566; 15.6297; 20.726
90; 90; 90		6270.4Xiong, 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 CIFC64 H102 O8 Y2P b c a19.3525; 15.6285; 20.6896
90; 90; 90		6257.6Xiong, 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 CIFC64 H102 Gd2 O8P b c a19.3419; 15.68151; 20.772
90; 90; 90		6300.36Xiong, 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 CIFC26 H17 N3 O6P 1 21/n 114.7815; 9.0701; 21.2106
90; 106.718; 90		2723.5Yu, 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 CIFC26 H16 N4 O8P 42/n19.9155; 19.9155; 13.4286
90; 90; 90		5326.15Yu, 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 CIFC26 H18 N2 O4P 1 21/c 110.52308; 8.79827; 22.9441
90; 95.4899; 90		2114.53Yu, 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 CIFC37 H59 Na O6 Si4C 1 2/c 123.272; 9.7485; 37.173
90; 94.149; 90		8411Li, 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 CIFC16 H39 Li O6 Si3C 1 c 19.531; 17.403; 15.039
90; 90.873; 90		2494Li, 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 CIFC15 H39 Ge Na O6 Si3P 1 21/c 115.729; 9.9209; 17.212
90; 90.3515; 90		2685.8Li, 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 CIFC15 H39 Ge K O6 Si3P 1 21/n 18.141; 19.245; 16.727
90; 90.528; 90		2620.6Li, 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 CIFC16 H39 K O6 Si3P 1 21/n 18.698; 18.417; 16.289
90; 90.2; 90		2609Li, 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 CIFC13 H10 N2 O2P 21 21 215.2167; 10.4562; 18.815
90; 90; 90		1026.3Xu, 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 CIFC17 H31 I O P2P 1 21/c 110.0682; 13.5159; 14.7514
90; 92.352; 90		2005.69Knopf, 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 CIFC14 H26 P2P 1 21/n 18.4848; 12.9532; 14.0671
90; 105.04; 90		1493.09Knopf, 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 CIFC14 H22 Cl6 I2 P2C 1 2/c 123.5655; 10.2998; 20.9628
90; 98.051; 90		5037.9Knopf, 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 CIFC27 H46 Ni O2 P2P 21 21 219.6408; 12.6202; 22.256
90; 90; 90		2707.9Knopf, 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 CIFC14 H10 N4P 1 21/n 19.3816; 6.7781; 16.9307
90; 99.5145; 90		1061.8Jash, 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
1544287 CIFC50 H86 P3 RhP 1 21/c 110.4706; 22.65; 19.939
90; 98.7248; 90		4674Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu
Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide
Chem. Sci., 2017, 8, 1454
1544314 CIFC26 H23 O P S2P -18.4616; 11.5086; 12.4957
83.427; 77.321; 83.71		1174.89Wu, 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
1544315 CIFC20 H19 Fe N OP 21 21 215.7992; 11.4342; 24.017
90; 90; 90		1592.5Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier
Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.
Chemical science, 2017, 8, 1344-1349
1544316 CIFC22 H21 Fe N O3P 329.7138; 9.7138; 33.882
90; 90; 120		2768.7Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier
Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.
Chemical science, 2017, 8, 1344-1349
1544356 CIFC33 H46 Br N O5 SiP 21 21 219.091; 18.1061; 20.6924
90; 90; 90		3406Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel
Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application
Chem. Sci., 2017, 8, 1511
1544357 CIFC18 H21 Br N2 O3P 1 21 18.8396; 17.5572; 11.6494
90; 94.347; 90		1802.77Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain
Highly enantioselective metallation‒substitution alpha to a chiral nitrile
Chem. Sci., 2017, 8, 1436
1544369 CIFC60 H72 Br2 F48 I6 K2 N4 O12P -311.727; 11.727; 20.29
90; 90; 120		2416.5Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe
Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems
Chem. Sci., 2017, 8, 1801
1544385 CIFC114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6C 1 2 135.1845; 14.8561; 31.0855
90; 101.739; 90		15908.7Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia
Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method
Chem. Sci., 2017, 8, 1547
1544386 CIFC118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6C 1 2 135.2593; 14.8434; 31.0697
90; 101.611; 90		15928.1Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia
Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method
Chem. Sci., 2017, 8, 1547
1544404 CIFC37 H36 Cl F5 N4 O2 UC 1 c 124.5647; 8.4279; 16.8859
90; 91.172; 90		3495.14Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.
Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.
Chemical science, 2017, 8, 108-116
1544405 CIFC51 H50 Cl3 F5 N4 O2 Ti2 UP 1 21/c 114.486; 30.377; 12.092
90; 107.081; 90		5086Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.
Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.
Chemical science, 2017, 8, 108-116
1544406 CIFC37 H38 Cl Co F5 N4 O2.5 UP 1 21/c 116.0945; 28.2241; 19.2594
90; 105.247; 90		8440.7Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.
Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.
Chemical science, 2017, 8, 108-116
1544443 CIFC24 H16 O2 S2P 1 21/n 19.6533; 13.2733; 15.1062
90; 90.485; 90		1935.51Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew
White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism
Chem. Sci., 2017, 8, 1909
1544444 CIFC37 H24 Cl2 O2 S3C 1 2/c 19.3865; 12.1945; 26.4154
90; 94.268; 90		3015.22Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew
White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism
Chem. Sci., 2017, 8, 1909
1544458 CIFC11 H11 Cl N2 O5P 1 21/c 16.98145; 21.3099; 8.10016
90; 97.9679; 90		1193.46Liang, 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
1544462 CIFC27 H32 N2 O7P -19.067; 9.572; 14.08
89.833; 82.205; 85.541		1207Yang, 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
1544463 CIFC25 H32 Cl2 N2 O6P 21 21 217.8529; 15.3187; 20.944
90; 90; 90		2519.5Yang, 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
1544464 CIFC31 H38 N2 O5I 427.2685; 27.2685; 7.6863
90; 90; 90		5715.3Yang, 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
1544465 CIFC25 H30 N2 O7P 21 21 218.9658; 14.5779; 17.7311
90; 90; 90		2317.5Yang, 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
1544481 CIFC20 H15 Br Cl2 O SP 1 21/c 15.0603; 21.361; 17.169
90; 96.419; 90		1844.2Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin
Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.
Chemical science, 2017, 8, 1601-1606
1544482 CIFC24 H16 Cl N O3 SP 1 21/c 118.742; 15.6215; 13.97
90; 98.216; 90		4048.1Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin
Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.
Chemical science, 2017, 8, 1601-1606
1544483 CIFC11 H8.5 F1.5 O2 SP 1 21/c 16.0792; 14.673; 23.976
90; 91.386; 90		2138Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin
Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.
Chemical science, 2017, 8, 1601-1606
1544510 CIFC16 H20 Cl2 Ir N2 O2P -17.8768; 8.0811; 8.6738
68.1; 66.086; 61.433		432.1Shopov, 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
1544511 CIFC16 H20 Cl2 Ir N2 O2I 41/a16.9129; 16.9129; 25.3688
90; 90; 90		7256.6Shopov, 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
1544512 CIFC16 H23 Cl2 Ir N2 O3P -18.8884; 9.6675; 12.5862
95.132; 109.482; 110.349		929.79Shopov, 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
1544513 CIFC18 H24 Cl2 Ir N2 O3P 1 21/n 17.9001; 18.4626; 14.3136
90; 95.04; 90		2079.66Shopov, 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
1544514 CIFC17 H22 Cl4 Ir N2 O2P 1 21/n 18.7599; 15.6388; 15.6017
90; 98.373; 90		2114.56Shopov, 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
1544515 CIFC33 H48 Cl6 Ir2 N4 O6P 1 21/c 19.044; 13.823; 17.039
90; 95.227; 90		2121Shopov, 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
1544516 CIFC8 H15 Cl4 Ir N Na O3.5P -18.4303; 13.4446; 14.3559
74.431; 85.859; 81.771		1550.31Shopov, 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
1544517 CIFC33 H42 Cl6 Ir2 N4 O4P b c a14.9782; 15.0278; 17.4463
90; 90; 90		3927Shopov, 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
1544536 CIFC24 H18 Br N O3P 21 21 218.8078; 9.5713; 23.675
90; 90; 90		1995.9Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song
N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.
Chemical science, 2017, 8, 1936-1941
1544554 CIFC25 H32 Si2P b c a6.657; 34.537; 19.811
90; 90; 90		4555Takahashi, 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
1544555 CIFC29 H34 Si2P 1 21/c 115.291; 11.701; 14.17
90; 93.057; 90		2532Takahashi, 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
1544556 CIFC27 H36 N2 O2 Si2P -17.221; 11.79; 16.389
110.915; 93.663; 94.99		1291.6Takahashi, 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
1544557 CIFC23 H11 F8 N3 OP 1 21/c 16.5595; 41.849; 6.9922
90; 94.939; 90		1912.3Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong
Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.
Chemical science, 2017, 8, 2086-2090
1544558 CIFC32 H22 F4 I2 N6 O2P 1 21/c 115.842; 5.698; 16.7517
90; 94.72; 90		1507Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong
Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.
Chemical science, 2017, 8, 2086-2090
1544602 CIFC56 H72 F12 N4 O2 Si2 Zn2P 1 21/c 111.3281; 24.0698; 13.5639
90; 110.91; 90		3454.8Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.
A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide
Chem. Sci., 2017, 8, 1876
1544603 CIFC31 H45 F6 N3 Si2 ZnP -110.5225; 11.8495; 16.4988
91.643; 107.641; 115.266		1742.8Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.
A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide
Chem. Sci., 2017, 8, 1876
1544629 CIFC56 H68 B4 Cl8 Fe2 N14 O12P 1 21/c 119.4453; 15.7177; 23.5873
90; 109.174; 90		6809.2Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544630 CIFC43 H54 B4 Cl6 Fe2 N14 O12P -18.4174; 19.6607; 20.1792
60.961; 79.048; 87.787		2860.9Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544631 CIFC226 H267 B20 F16 Fe8 N65 O48 Pd2P -120.2193; 20.6255; 21.5175
63.61; 76.958; 85.618		7828.1Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544632 CIFC160 H192 B20 F16 Fe8 N56 O48 Pd2P 1 2/c 141.2884; 14.0841; 54.0058
90; 97.789; 90		31115.2Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544633 CIFC262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5P -121.3764; 21.4422; 23.5362
105.44; 91.132; 90.267		10396.1Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544634 CIFC244 H264 B20 F16 Fe8 N56 O56 Pd2P -120.6996; 21.9894; 23.0916
96.416; 91.4; 109.195		9843.2Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544635 CIFC264 H306 B20 F16 Fe8 N62 O56 Pd2P 4/m n c17.5471; 17.5471; 62.6742
90; 90; 90		19297.4Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
PdII2L4-type coordination cages up to three nanometers in size
Chem. Sci., 2017, 8, 1901
1544644 CIFC70 H83 Sb4 Y3C 1 c 114.8643; 19.384; 24.2728
90; 107.004; 90		6688Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
Chemical science, 2017, 8, 2073-2080
1544645 CIFC70 H83 Dy3 Sb4C 1 c 114.8968; 19.3308; 24.2616
90; 106.568; 90		6696.5Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
Chemical science, 2017, 8, 2073-2080
1544646 CIFC70 H83 Dy3 Sb3C 1 c 115.113; 18.7437; 24.0965
90; 103.339; 90		6641.75Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
Chemical science, 2017, 8, 2073-2080
1544647 CIFC70 H83 Sb3 Y3C 1 c 115.1052; 18.7715; 24.1263
90; 103.437; 90		6653.68Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
Chemical science, 2017, 8, 2073-2080
1544648 CIFC18 H24 Sb2P -15.174; 7.9835; 11.2694
88.921; 79.679; 73.714		439.35Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
Chemical science, 2017, 8, 2073-2080
1544655 CIFC90 H121 F6 N7 O18 PP 1 21/c 122.63; 23.529; 19.425
90; 112.979; 90		9522Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua
Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.
Chemical science, 2017, 8, 2091-2100
1544656 CIFC216 H292 F12 N20 O36 P2P 1 21/n 122.928; 25.6042; 23.2131
90; 111.03; 90		12719.6Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua
Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.
Chemical science, 2017, 8, 2091-2100
1544657 CIFC12 H30 I6 N2 PbP b c a9.0651; 8.8852; 33.617
90; 90; 90		2707.7Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.
Decreasing the electronic confinement in layered perovskites through intercalation.
Chemical science, 2017, 8, 1960-1968
1544658 CIFC39 H36 Cl2 Ir O2 PC 1 2 119.385; 16.22; 10.9215
90; 107.035; 90		3283.3Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin
Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.
Chemical science, 2017, 8, 1977-1980
1544660 CIFC45 H43 Cl11 N O P PdP 21 21 2113.7983; 18.7174; 19.3028
90; 90; 90		4985.3Race, 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
1544661 CIFC17 H17 NP 21 21 216.077; 7.7665; 27.619
90; 90; 90		1303.5Race, 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
1544701 CIFC81.75 H139 F6 N17 O9.75 PP 21 21 2120.2513; 20.7166; 21.07611
90; 90; 90		8842.23Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544702 CIFC82 H140 F6 N16 O10 P SbP 1 21 120.20836; 21.378; 20.70075
90; 90.0578; 90		8943.02Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544703 CIFC82 H140 B F4 N17 O10P 21 21 2120.03081; 20.92663; 20.97159
90; 90; 90		8790.82Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544704 CIFC81.75 H139 N17 O13.75 ReP 21 21 2120.1641; 20.8019; 21.1254
90; 90; 90		8861.1Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544705 CIFC82 H140 I N16 O14 PP 1 21 120.1263; 21.3089; 20.7811
90; 90.0371; 90		8912.4Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544706 CIFC83 H140 F3 N17 O13 SP 21 21 2120.27229; 20.7328; 21.02695
90; 90; 90		8837.66Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544742 CIFC26 H38 Au N2 P SP 1 21/c 112.4327; 15.7628; 12.9117
90; 97.2061; 90		2510.37Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544743 CIFC32 H25 Au N2 O2P 1 21/c 111.4778; 20.461; 11.6734
90; 111.062; 90		2558.3Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544744 CIFC39 H51 Au B F2 N2 PP 1 21/n 110.9501; 25.1526; 13.6349
90; 102.556; 90		3665.6Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544751 CIFC35 H53 Fe N2 P3 SiP c a 2117.8087; 11.3207; 17.3127
90; 90; 90		3490.36Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544752 CIFC43 H65 Fe N3 Na O2 P3 SiP 1 21/c 113.454; 10.208; 32.264
90; 90.86; 90		4431Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544753 CIFC69 H71 B F24 Fe N2 O0.5 P3 SiP -113.2134; 16.5453; 19.1158
107.944; 103.367; 104.913		3616.2Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544754 CIFC45 H69 Fe N5 Na O3 P3 SiP 1 21/c 116.278; 12.177; 24.314
90; 90.733; 90		4819.1Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544755 CIFC35 H53 Fe N3 P3 SiP -110.4778; 17.2329; 20.001
92.885; 96.497; 98.431		3541.2Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544756 CIFC73 H82 B F24 Fe N3 O1.5 P3 SiP -112.6269; 16.1557; 20.397
86.951; 77.672; 72.605		3878.8Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544757 CIFC45 H69 Fe N5 Na O3 P3 SiP n m a24.918; 16.256; 12.349
90; 90; 90		5002Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544758 CIFC39 H51 Cl Fe N3 P3 SiP n a 2138.962; 11.0406; 18.1487
90; 90; 90		7806.9Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544759 CIFC33 H45 Cl0 Fe N5 P3 SiP 1 21 110.6457; 19.2443; 16.2208
90; 91.27; 90		3322.3Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544760 CIFC69 H70 B F24 Fe N4 O P3 SiP -117.5105; 20.6792; 22.9097
102.798; 94.824; 111.77		7385Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544780 CIFC16 H32.72 N4 O12.36 ZrP 4 c c13.0201; 13.0201; 13.1802
90; 90; 90		2234.3Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.
Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.
Chemical science, 2017, 8, 2309-2314
1544786 CIFC8 H16 Cl2 N4 O5 PtP 1 21/c 112.2584; 10.9135; 21.9058
90; 104.66; 90		2835.2Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
Chem. Sci., 2017, 8, 2241
1544787 CIFC9 H20 Cl2 N4 O7 PtC 1 2/c 127.345; 10.1753; 12.3345
90; 101.328; 90		3365.1Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
Chem. Sci., 2017, 8, 2241
1544788 CIFC697 H897 Ag115 P12 S81P -129.4745; 35.8121; 48.4263
86.379; 75.637; 74.164		47638.4Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter
[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster
Chem. Sci., 2017, 8, 2235
1544802 CIFC35 H32 B2 Cl F18 N3P 1 21/n 111.379; 22.2822; 16.4411
90; 107.567; 90		3974.2Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544803 CIFC46 H51 B2 F18 N5C 1 2/c 112.936; 18.7832; 41.0326
90; 94.5442; 90		9938.7Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544804 CIFC31 H39.5 B F3.5 N5 O3 SP -19.3972; 12.2337; 16.8072
73.1735; 77.1382; 68.1258		1701.94Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544805 CIFC12 H21 B F3 N5 O3 SC m c 2113.5787; 12.2769; 11.1774
90; 90; 90		1863.32Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544806 CIFC54 H53 B2 F24 N7P 21 21 2112.6084; 19.7795; 24.1204
90; 90; 90		6015.3Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544807 CIFC35.38 H33.75 B2 Cl0.75 F18 N3I 1 2/a 125.1883; 12.192; 26.4276
90; 98.253; 90		8031.8Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544808 CIFC38.5 H35 B2 F18 N3P 1 21/n 112.2423; 22.642; 14.6138
90; 92.7542; 90		4046.12Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544809 CIFC14 H24 F6 Fe N24 O6 S2P -17.543; 11.336; 11.424
63.483; 89.755; 88.763		873.9Urtizberea, 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
1544810 CIFC14 H24 F6 Fe N24 O6 S2R -3 :H19.724; 19.724; 45.031
90; 90; 120		15172Urtizberea, 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
1544822 CIFC14 H10 N2 O2P b c a8.2; 12.4012; 21.182
90; 90; 90		2154Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker
Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.
Chemical science, 2017, 8, 2431-2435
1544823 CIFC15 H14 N2 O2P 1 21/n 18.73; 13.396; 11.372
90; 101.968; 90		1301Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker
Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.
Chemical science, 2017, 8, 2431-2435
1544824 CIFC66 H52 Cl12 N2 O4P 4313.9364; 13.9364; 34.5285
90; 90; 90		6706.24Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh
Enhanced intersystem crossing in core-twisted aromatics
Chem. Sci., 2017, 8, 1776
1544825 CIFC104 H86 N2 O4P -111.4627; 11.8704; 15.645
76.067; 89.834; 72.77		1968.03Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh
Enhanced intersystem crossing in core-twisted aromatics
Chem. Sci., 2017, 8, 1776
1544826 CIFC17 H17 N OP 1 21/n 16.3989; 11.27072; 19.0731
90; 92.0107; 90		1374.71Kim, Jungwon; Hong, Soon Hyeok
Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.
Chemical science, 2017, 8, 2401-2406
1544843 CIFC35 H28 N4 OP 1 21/n 19.359; 10.6693; 27.872
90; 93.525; 90		2777.9Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong
Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging
Chem. Sci., 2017, 8, 1763
1544851 CIFC24 H28 N2 O10P 1 21/c 16.241; 27.3263; 6.9456
90; 99.4148; 90		1168.57Sui, 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
1544969 CIFC42 H50 F12 N10 O7 P2 RuC 1 2/c 121.9093; 15.8193; 19.1282
90; 130.884; 90		5012.2Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.
Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.
Chemical science, 2017, 8, 395-404
1544982 CIFC40 H89 Ga O13 Si3P -118.0886; 25.2724; 26.1157
62.983; 89.953; 89.655		10635.5Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe
Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts
Chem. Sci., 2017, 8, 2661
1544983 CIFC34 H30 Cu4 I4 N6 S4P 1 21/n 114.003; 8.7535; 16.9635
90; 93.969; 90		2074.32Lee, 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
1544984 CIFC34 H30 Cu4 I4 N6 S4P -18.811; 10.0997; 12.544
101.523; 102.995; 104.283		1014.82Lee, 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
1544985 CIFC35 H32 Cl2 Cu4 I4 N6 S4C 1 2/c 128.265; 16.1159; 10.1658
90; 109.463; 90		4366.1Lee, 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

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