Crystallography Open Database

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1553650 CIFC8 H8 F6 N4 Ni SiP 4/m m m6.99732; 6.99732; 7.49177
90; 90; 90
366.816Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553649 CIFC8 H8 F6 N4 Ni SiP 4/m m m7.00122; 7.00122; 7.49794
90; 90; 90
367.527Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553648 CIFC8 H8 F6 N4 Ni Si Xe0.34P 4/m m m7.0187; 7.0187; 7.5098
90; 90; 90
369.95Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553651 CIFC8 H8 F6 Fe N4 O SiP 4/m m m7.1831; 7.1831; 7.5839
90; 90; 90
391.31Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1544510 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
1545179 CIFC8 H8 Br N5 O SP 1 21/n 115.3538; 4.3958; 17.1443
90; 112.351; 90
1070.18Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak
Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.
Chemical science, 2017, 8, 2983-2993
1544851 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
1544516 CIFC8 H15 Cl4 Ir N Na O3.5P -18.4303; 13.4446; 14.3559
74.431; 85.859; 81.771
1550.31Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.
A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.
Chemical science, 2017, 8, 1642-1652
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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