Crystallography Open Database

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1545178 CIFC10 H11 N3 O6 SP 1 21 16.8159; 9.972; 17.7839
90; 98.748; 90		1194.68Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak
Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.
Chemical science, 2017, 8, 2983-2993
1545180 CIFC10 H15.5 N4 O6.75 SP 18.0883; 10.9716; 16.0771
72.07; 80.273; 86.279		1337.78Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak
Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.
Chemical science, 2017, 8, 2983-2993
1545026 CIFC10 H8 S2P 1 21/c 15.81321; 7.5432; 10.2777
90; 93.249; 90		449.95Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong
Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene
Chem. Sci., 2017, 8, 2629
1545550 CIFC100 H112 N8 O2 S2 U2C 1 2/c 117.3745; 34.224; 17.013
90; 112.037; 90		9377.3Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
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
1545551 CIFC101 H105 N8 O2 S U2P -115.9605; 16.6905; 18.0699
67.132; 86.551; 82.45		4396.61Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545535 CIFC103 H97 N16 O38.5P 1 21/n 128.255; 51.842; 30.331
90; 110.957; 90		41490Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
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
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
1545552 CIFC106 H130 B K N8 O5 U2P n m a29.6933; 29.9161; 10.8656
90; 90; 90		9652Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
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
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
1545553 CIFC110 H138 B N8 Na O6 U2C 1 2/c 115.5798; 33.7862; 20.7334
90; 105.543; 90		10514.6Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
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
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
1544992 CIFC12 H13 F3 O2 S2P -15.6786; 8.4547; 15.2755
95.353; 96.231; 102.129		707.68Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu
Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes
Chem. Sci., 2017, 8, 2610
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
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
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
1545176 CIFC13 H20 O4P 21 21 215.5604; 6.6895; 33.0826
90; 90; 90		1230.55Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.
Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.
Chemical science, 2017, 8, 2904-2913
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
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
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
1545175 CIFC14 H14 O4P 1 21 19.16074; 6.01447; 10.6243
90; 92.073; 90		584.984Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.
Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.
Chemical science, 2017, 8, 2904-2913
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
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
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
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
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
1545174 CIFC15 H12 B Cl O3P 21 21 2113.0121; 5.2339; 19.82
90; 90; 90		1349.82Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta
Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.
Chemical science, 2017, 8, 3026-3030
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
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
1545183 CIFC15 H15 NpC m c 2114.1208; 8.7037; 9.5917
90; 90; 90		1178.85Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
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
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
1545516 CIFC16 H14 I2P 1 21/c 111.4988; 15.9491; 8.2449
90; 97.906; 90		1497.71Janhsen, B.; Daniliuc, C. G.; Studer, A.
Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems
Chem. Sci., 2017, 8, 3547
1545092 CIFC16 H15 Br O2C 1 2 119.2401; 7.48163; 19.9656
90; 104.461; 90		2782.94Kossler, D.; Cramer, N.
Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions
Chem. Sci., 2017, 8, 1862
1545515 CIFC16 H16 I2P 1 c 18.4867; 11.5788; 16.5698
90; 92.762; 90		1626.35Janhsen, B.; Daniliuc, C. G.; Studer, A.
Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems
Chem. Sci., 2017, 8, 3547
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
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
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
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
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
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
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
1544987 CIFC17 H15 Cu N5 O6 S2C 1 2/c 117.889; 12.2339; 20.7705
90; 101.703; 90		4451.18Lee, 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
1544989 CIFC17 H15 N3 S2P 1 21/n 110.5537; 9.2526; 16.335
90; 107.345; 90		1522.57Lee, 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
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
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
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
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
1545534 CIFC172 H112 Ca2 N32 O111 S8C 1 2/c 134.1155; 45.9981; 33.3135
90; 109.407; 90		49307Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545027 CIFC18 H10 S4P 1 21/n 110.91901; 8.76755; 15.8755
90; 93.1272; 90		1517.55Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong
Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene
Chem. Sci., 2017, 8, 2629
1545028 CIFC18 H12 S4P 1 21/n 19.316; 9.10329; 9.6346
90; 110.853; 90		763.55Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong
Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene
Chem. Sci., 2017, 8, 2629
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
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
1544991 CIFC18 H17 F3 O2 S2P c a 2111.2567; 11.6409; 27.0758
90; 90; 90		3548Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu
Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes
Chem. Sci., 2017, 8, 2610
1545091 CIFC18 H17 F5 N O5 PP 15.2533; 12.0015; 16.3874
74.879; 84.088; 80.148		980.85McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana
The protecting-group free selective 3′-functionalization of nucleosides
Chem. Sci., 2017, 8, 2804
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
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
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
1545177 CIFC18 H22 O6P 21 21 218.9615; 10.02283; 17.71277
90; 90; 90		1590.95Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.
Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.
Chemical science, 2017, 8, 2904-2913
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
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
1545095 CIFC18 H28 Br2 N2 P2 PdP 21 21 217.6802; 15.4523; 18.383
90; 90; 90		2181.63Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.
A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions
Chem. Sci., 2017, 8, 2841
1545520 CIFC19 H13 Cl F3 N5 O2P 21 21 2110.7343; 12.0336; 28.9712
90; 90; 90		3742.28Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
1545184 CIFC19 H21 N2 NpP b c n13.6966; 8.3864; 14.6562
90; 90; 90		1683.5Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
1543910 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
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
1545369 CIFC19 H30 B N O3P 319.7577; 9.7577; 17.8748
90; 90; 120		1473.9Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
1545181 CIFC2.5 H2.5 Np0.12I -4 2 m8.598; 8.598; 10.5541
90; 90; 90		780.22Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
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
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
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
1545519 CIFC20 H18 Cu F6 N10 O8 S2P -17.3568; 10.0126; 10.8607
110.106; 95.309; 106.922		702.02Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
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
1545536 CIFC205.5 H135.5 Ca6.25 N32 O82.5P b c a34.859; 29.286; 51.432
90; 90; 90		52506Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
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
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
1545530 CIFC218 H276 N4 Na2 O6 P6P -114.6157; 18.3339; 23.554
85.401; 81.374; 78.671		6110.2Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545242 CIFC22 H17 Br F N O2P 1 21/c 115.3026; 12.0184; 10.1214
90; 90.552; 90		1861.37Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean
The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes.
Chemical science, 2017, 8, 2890-2897
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
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
1545090 CIFC22 H29 F N3 O9 PP 21 21 2111.355; 13.612; 16.835
90; 90; 90		2602.1McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana
The protecting-group free selective 3′-functionalization of nucleosides
Chem. Sci., 2017, 8, 2804
1545368 CIFC22 H37 B2 N O5P 1 21/n 111.549; 33.161; 13.3198
90; 105.633; 90		4912.46Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
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
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
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
1545478 CIFC23 H33 Cl2 N O3 SI 1 2/a 126.9274; 5.87596; 29.0682
90; 90.0555; 90		4599.29Saint-Dizier, François; Simpkins, Nigel S.
First total synthesis of concavine
Chem. Sci., 2017, 8, 3384
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
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
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
1546842 CIFC24 H20 N2 O6P n a 2128.9068; 7.9025; 8.9889
90; 90; 90		2053.39Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme
Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes
Chemical Science, 2017, 8, 7112-7118
1545264 CIFC24 H24 Cl2 Co N4 O8P 1 21/c 118.0546; 11.9616; 13.4228
90; 105.413; 90		2794.6Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.
Reversible solvatomagnetic switching in a single-ion magnet from an entatic state
Chem. Sci., 2017, 8, 3694
1545263 CIFC24 H26 Cl2 Co N4 O9P 1 21/c 118.258; 11.064; 14.334
90; 101.816; 90		2834.2Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.
Reversible solvatomagnetic switching in a single-ion magnet from an entatic state
Chem. Sci., 2017, 8, 3694
1553646 CIFC24 H27 B2 F11 Fe N6P 316.8376; 16.8376; 7.8829
90; 90; 120		1935.43Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
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
1545185 CIFC24 H39 Np Si3P b c a8.298; 22.1664; 28.917
90; 90; 90		5318.9Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
1545338 CIFC24 H44 Ce N O8 Pt2 S8P 4/m c c8.6742; 8.6742; 25.3428
90; 90; 90		1906.84Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545345 CIFC24 H44 Dy N O8 Pt2 S8P 4/m c c8.6098; 8.6098; 25.515
90; 90; 90		1891.4Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545349 CIFC24 H44 Er N O8 Pt2 S8P 4/m c c8.5857; 8.5857; 25.5107
90; 90; 90		1880.5Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545353 CIFC24 H44 Eu N O8 Pt2 S8P 4/m c c8.6247; 8.6247; 25.4329
90; 90; 90		1891.84Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545354 CIFC24 H44 Gd N O8 Pd2 S8P 4/m c c8.6832; 8.6832; 25.8856
90; 90; 90		1951.72Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545351 CIFC24 H44 Gd N O8 Pt2 S8P 4/m c c8.68; 8.68; 25.8359
90; 90; 90		1946.54Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545352 CIFC24 H44 Gd N O8 Pt2 S8P 4/m c c8.6134; 8.6134; 25.4434
90; 90; 90		1887.66Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545339 CIFC24 H44 Ho N O8 Pt2 S8P 4/m c c8.5991; 8.5991; 25.4694
90; 90; 90		1883.32Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545340 CIFC24 H44 La N O8 Pt2 S8P 4/m c c8.6867; 8.6867; 25.3813
90; 90; 90		1915.24Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545341 CIFC24 H44 Lu N O8 Pt2 S8P 4/m c c8.5697; 8.5697; 25.5067
90; 90; 90		1873.21Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545342 CIFC24 H44 N Nd O8 Pt2 S8P 4/m c c8.6502; 8.6502; 25.3992
90; 90; 90		1900.52Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545355 CIFC24 H44 N O8 Pd2 S8 YP 4/m c c8.6638; 8.6638; 25.8747
90; 90; 90		1942.19Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545343 CIFC24 H44 N O8 Pr Pt2 S8P 4/m c c8.6615; 8.6615; 25.413
90; 90; 90		1906.52Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545344 CIFC24 H44 N O8 Pt2 S8 SmP 4/m c c8.6302; 8.6302; 25.4187
90; 90; 90		1893.19Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545350 CIFC24 H44 N O8 Pt2 S8 TbP 4/m c c8.6049; 8.6049; 25.4824
90; 90; 90		1886.83Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545346 CIFC24 H44 N O8 Pt2 S8 TmP 4/m c c8.5844; 8.5844; 25.5043
90; 90; 90		1879.46Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545347 CIFC24 H44 N O8 Pt2 S8 YP 4/m c c8.5854; 8.5854; 25.5257
90; 90; 90		1881.48Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545348 CIFC24 H44 N O8 Pt2 S8 YbP 4/m c c8.5693; 8.5693; 25.5201
90; 90; 90		1874.02Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
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
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
1553645 CIFC25 H30 B2 F10 N6 ZnP 1 c 113.6092; 14.5112; 14.1222
90; 90.875; 90		2788.61Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
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
1545096 CIFC25 H32 Br N3 O P2 PdC 1 2 123.434; 10.7208; 10.6091
90; 95.3448; 90		2653.7Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.
A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions
Chem. Sci., 2017, 8, 2841
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
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
1545370 CIFC25 H43 B2 N O5P 21 21 2110.0273; 12.4499; 21.5324
90; 90; 90		2688.1Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
1545006 CIFC252 H330 Ag28 P4 Pt S18C 1 2/c 150.8135; 29.3497; 49.1614
90; 110.274; 90		68775Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao
The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster
Chem. Sci., 2017, 8, 2581
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
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
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
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
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
1545097 CIFC26 H24 N2 O6 S2P 21 21 218.7715; 15.9157; 36.3389
90; 90; 90		5073.1Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia
Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters
Chem. Sci., 2017, 8, 2811
1545144 CIFC26 H26 O3P 1 21 112.8937; 6.0514; 14.068
90; 107.517; 90		1046.75Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu
Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.
Chemical science, 2017, 8, 3002-3006
1553644 CIFC26 H31.5 B2 F10 Fe N6.5P -111.4603; 14.9231; 18.6992
110.254; 106.434; 91.133		2853Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
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
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
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
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
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
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
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
1553643 CIFC27 H33 B2 F11 Fe N6F -4 3 c29.3374; 29.3374; 29.3374
90; 90; 90		25250.2Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553647 CIFC27 H33 B2 F11 N6 ZnF -4 3 c29.282; 29.282; 29.282
90; 90; 90		25107.4Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
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
1545281 CIFC27 H40 F2 N P2 RhP n a 2116.693; 16.565; 9.888
90; 90; 90		2734.2Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
Chem. Sci., 2017, 8, 3178
1545529 CIFC27 H41 B N2 O P2P n m a12.9335; 20.866; 10.2861
90; 90; 90		2775.9Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
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
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
1545280 CIFC28 H40 F4 N P2 RhC 1 2/c 122.851; 9.929; 16.292
90; 131.487; 90		2769Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
Chem. Sci., 2017, 8, 3178
1545282 CIFC28 H41 B11 Cl11 F N P2 RhP n a 2120.427; 19.756; 11.606
90; 90; 90		4684Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
Chem. Sci., 2017, 8, 3178
1545291 CIFC28 H46 Cu2 F6 N4 O12 S2P 1 21/n 19.5488; 11.0676; 18.7942
90; 101.996; 90		1942.84Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
Chemical science, 2017, 8, 3031-3037
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
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
1545543 CIFC29 H50 Cl2 N2 O12 Pd3C 1 2/c 125.3774; 8.3627; 19.7264
90; 116.32; 90		3752.41He, Chuan; Gaunt, Matthew J.
Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines
Chem. Sci., 2017, 8, 3586
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
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
1545255 CIFC30 H30 B2 F8 Fe N24P 63/m10.4852; 10.4852; 23.308
90; 90; 120		2219.2Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545256 CIFC30 H30 B2 F8 Fe N24P 63/m10.369; 10.369; 22.9628
90; 90; 120		2138.1Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1547319 CIFC30 H49 N5 O6P 1 21 18.3072; 7.8052; 25.7246
90; 97.491; 90		1653.7Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris
Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif
Chemical Science, 2017, 8, 3971-3979
1545259 CIFC30.78 H33.12 Cl2 Fe N24 O8P 63/m10.5426; 10.5426; 23.6588
90; 90; 120		2277.29Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545262 CIFC30.84 H33.36 B2 F8 Fe N24P 63/m10.5681; 10.5681; 23.4989
90; 90; 120		2272.86Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545143 CIFC31 H28 O2P 21 21 215.8387; 15.6232; 25.7309
90; 90; 90		2347.15Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu
Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.
Chemical science, 2017, 8, 3002-3006
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
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
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
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
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
1545260 CIFC31.044 H30 B2 F8 Fe N24 O2.088P 63/m10.57127; 10.57127; 23.4813
90; 90; 120		2272.52Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545257 CIFC31.12 H30 Cl2 Fe N24 O10.24P 63/m10.55931; 10.55931; 23.6672
90; 90; 120		2285.33Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545258 CIFC31.63 H33.26 Cl2 Fe N24 O8P 63/m10.52034; 10.52034; 23.5917
90; 90; 120		2261.25Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
1545261 CIFC31.8 H33.6 B2 F8 Fe N24P 63/m10.57281; 10.57281; 23.49996
90; 90; 120		2274.99Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Gas confinement in compartmentalized coordination polymers for highly selective sorption
Chem. Sci., 2017, 8, 3109
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
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
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
1545182 CIFC32 H35 K1.5 Np1.5 O0.5C 1 2 122.6093; 14.7125; 9.0155
90; 90.415; 90		2998.8Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
1545678 CIFC32 H38 Cs K2 O6P -19.8938; 13.3712; 15.521
64.492; 78.484; 71.755		1755Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.
Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts
Chem. Sci., 2017, 8, 3137
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
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
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
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
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
1544988 CIFC34 H30 Cu2 I2 N6 S4P 1 21/n 110.1355; 8.3969; 21.0712
90; 95.58; 90		1784.8Lee, 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
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
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
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
1545290 CIFC34 H58 Cu2 N4 O8P n n a14.5909; 12.6902; 20.135
90; 90; 90		3728.23Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
Chemical science, 2017, 8, 3031-3037
1545635 CIFC35 H23 F3 Fe I2 N5 O5 SP -112.0127; 12.6193; 13.2123
110.546; 92.31; 111.271		1715.2Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
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
1545633 CIFC35 H26 F3 Fe I2 N4 O6 SP -112.43; 12.336; 13.183
111.83; 99.23; 66.05		1714.8Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545636 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.476; 13.0698; 13.4649
71.342; 87.437; 68.674		1776.5Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545637 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.5003; 13.1342; 13.5498
71.652; 87.488; 68.858		1806.23Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545638 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.5289; 13.1814; 13.6233
71.947; 87.644; 68.871		1830.2Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
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
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
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
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
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
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
1545640 CIFC36 H26 F3 Fe I2 N4 O6 SP -110.3759; 12.8053; 13.8091
79.08; 76.267; 86.609		1749.85Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545641 CIFC36 H26 F3 Fe I2 N4 O6 SP -110.3585; 12.9759; 14.1074
78.558; 76.606; 86.265		1807.59Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545631 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.2308; 12.6838; 13.0436
83.137; 68.061; 70.096		1764.77Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545632 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.4864; 12.4925; 13.6444
65.751; 82.594; 69.191		1813.6Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545634 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.4632; 12.6561; 13.365
83.298; 67.3; 69.644		1823Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545639 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.232; 12.547; 13.279
81.89; 67.04; 68.25		1742.9Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1544986 CIFC36 H34 Cl4 Cu4 I4 N6 S4C 1 2/c 125.9718; 10.2757; 17.5936
90; 90.94; 90		4694.72Lee, 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
1545289 CIFC36 H64 Cl2 Cu2 N4 O17P 1 21/c 116.6993; 15.6606; 17.7512
90; 92.035; 90		4639.4Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
Chemical science, 2017, 8, 3031-3037
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
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
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
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
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
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
1545531 CIFC38 H53 N3 O P2P n m a21.5089; 17.8123; 9.2449
90; 90; 90		3541.9Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545265 CIFC38 H55 Cl Pb Ru Si2P 1 21/n 19.728; 18.602; 21.538
90; 95.419; 90		3880.1Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
Chem. Sci., 2017, 8, 3092
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
1545367 CIFC38.5 H57 B Mg N2 O3P 1 21/n 113.48093; 14.64625; 18.8268
90; 94.1686; 90		3707.42Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
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
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
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
1545595 CIFC39 H51 O3 PP -110.8957; 13.0496; 13.9607
101.403; 109.481; 104.921		1718.4Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario
Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers
Chem. Sci., 2017, 8, 3913
1545596 CIFC39 H51 O3 PP 1 21/c 110.2109; 18.659; 35.308
90; 94.153; 90		6709.4Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario
Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers
Chem. Sci., 2017, 8, 3913
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
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
1545356 CIFC40 H44 Dy O8 P Pt2 S8P 4/n12.6485; 12.6485; 15.1509
90; 90; 90		2423.9Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545362 CIFC40 H44 Er O8 P Pt2 S8P 4/n12.6367; 12.6367; 15.1479
90; 90; 90		2418.91Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545363 CIFC40 H44 Gd O8 P Pd2 S8P 4/n12.8122; 12.8122; 15.3823
90; 90; 90		2525Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545358 CIFC40 H44 Gd O8 P Pt2 S8P 4/n12.8; 12.8; 15.345
90; 90; 90		2514.1Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545361 CIFC40 H44 Gd O8 P Pt2 S8P 4/n12.6662; 12.6662; 15.1584
90; 90; 90		2431.9Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545359 CIFC40 H44 Ho O8 P Pt2 S8P 4/n12.6459; 12.6459; 15.14
90; 90; 90		2421.17Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545364 CIFC40 H44 O8 P Pd2 S8 YP 4/n12.8004; 12.8004; 15.373
90; 90; 90		2518.87Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545360 CIFC40 H44 O8 P Pt2 S8 TbP 4/n12.6486; 12.6486; 15.1552
90; 90; 90		2424.6Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545357 CIFC40 H44 O8 P Pt2 S8 YP 4/n12.6436; 12.6436; 15.1616
90; 90; 90		2423.74Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545527 CIFC40 H58 N2 Na O7 P3P 21 21 2113.7779; 14.7189; 21.2291
90; 90; 90		4305.2Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545288 CIFC40 H71 Cl2 Cu2 N5 O17P 1 21/c 110.9869; 18.6852; 13.1285
90; 108.876; 90		2550.2Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
Chemical science, 2017, 8, 3031-3037
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
1545267 CIFC40.55 H59.95 Cl0.15 Pb Ru Si2P 1 21/c 116.7796; 11.2019; 21.597
90; 98.91; 90		4010.5Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
Chem. Sci., 2017, 8, 3092
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
1545166 CIFC41 H57 F7 N3 O12 PP 1 21 19.9986; 18.897; 12.05
90; 91.502; 90		2276Saito, Fumito; Bode, Jeffrey W.
Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds
Chem. Sci., 2017, 8, 2878
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
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
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
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
1545366 CIFC42 H59 Mg N3 OP 1 21/n 111.59209; 26.2784; 12.80407
90; 91.4753; 90		3899.1Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
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
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
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
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
1545266 CIFC44 H69 I Pb Ru Si2P b c a10.393; 22.3163; 39.5129
90; 90; 90		9164.4Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
Chem. Sci., 2017, 8, 3092
1545025 CIFC45 H26 Cl N4 S2C 1 2/c 130.0933; 8.439; 26.6268
90; 95.566; 90		6730.2Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi
Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence
Chem. Sci., 2017, 8, 2677
1545528 CIFC45 H38 B F15 N2 O P2P 1 21/n 114.0829; 20.6872; 15.9795
90; 99.559; 90		4590.8Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
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
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
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
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
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
1545094 CIFC46 H50 Br Cl2 N3 O2 P2 PdP 21 21 2112.7416; 15.3629; 22.5851
90; 90; 90		4420.99Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.
A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions
Chem. Sci., 2017, 8, 2841
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
1545512 CIFC46 H55 N4 P TiP 1 21/c 118.3497; 10.3436; 25.5974
90; 108.022; 90		4620.1Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.
Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)
Chem. Sci., 2017, 8, 3410
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
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
1545511 CIFC47 H62 N6 TiP -110.2323; 13.2844; 16.9919
100.164; 104.521; 95.151		2179Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.
Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)
Chem. Sci., 2017, 8, 3410
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
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
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
1545050 CIFC49 H42 F24 N8 O4 P4P 1 21/n 110.6431; 41.576; 13.8546
90; 110.763; 90		5732.5Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
Radically promoted formation of a molecular lasso
Chem. Sci., 2017, 8, 2562
1545513 CIFC49 H62 N4 O TiP -113.1179; 13.2082; 13.7748
105.738; 99.727; 98.022		2220.5Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.
Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)
Chem. Sci., 2017, 8, 3410
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
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
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
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
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
1545518 CIFC52 H54 N2 O5P 21 21 2110.807; 27; 28.2406
90; 90; 90		8240.3Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
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
1545162 CIFC53 H90 N10 O11P 19.302; 9.7698; 16.9249
84.505; 86.765; 71.597		1452.19Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan
A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.
Chemical science, 2017, 8, 3007-3018
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
1545093 CIFC54 H51 Cl O2 RuP 110.9092; 12.5543; 15.2599
86.71; 83.989; 89.249		2074.99Kossler, D.; Cramer, N.
Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions
Chem. Sci., 2017, 8, 1862
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
1545268 CIFC54 H87 Li O4 Pb Ru Si2P -112.7785; 14.3628; 15.1226
97.836; 96.992; 93.261		2721.5Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
Chem. Sci., 2017, 8, 3092
1545045 CIFC55 H23 Co F28 N4 O9 P3 YbC 1 2/c 124.588; 10.147; 24.582
90; 92.11; 90		6129Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long
Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields
Chem. Sci., 2017, 8, 2702
1545047 CIFC55 H25 Co D18 F8 N4 O9 P3 YbP -112.2948; 14.0793; 16.6204
72.8693; 73.873; 77.72		2614.22Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long
Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields
Chem. Sci., 2017, 8, 2702
1545365 CIFC55 H80 B Mg N3 O3P 1 21/c 19.17488; 19.0562; 30.0078
90; 93.281; 90		5237.91Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.
Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage
Chem. Sci., 2017, 8, 3529
1545163 CIFC55 H93 N11 O11P 1 21 113.6336; 14.6369; 33.2755
90; 89.215; 90		6639.6Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan
A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.
Chemical science, 2017, 8, 3007-3018
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
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
1545287 CIFC56 H94 Cl4 Cu4 N10 O24P -112.2247; 12.3904; 15.0274
106.67; 96.765; 118.889		1817.8Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.
Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
Chemical science, 2017, 8, 3031-3037
1545533 CIFC56.5 H55.25 N8 O17.25P -17.472; 20.571; 24.604
69.4; 84.5; 85.66		3520.1Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545046 CIFC57 H34 Cl5 Co F20 N4 O11 P3 YbC m c m15.8901; 19.2041; 22.9477
90; 90; 90		7002.6Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long
Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields
Chem. Sci., 2017, 8, 2702

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