Crystallography Open Database

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1541921 CIFC18 H19 N O5 SP 1 21/n 111.85; 10.4794; 13.4988
90; 91.813; 90
1675.5Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541922 CIFC32 H32 O4 SP 1 21/c 112.1307; 11.0079; 20.033
90; 104.538; 90
2589.42Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541923 CIFC28 H32 O4 SP 21 21 219.4078; 9.4698; 26.64
90; 90; 90
2373.4Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541924 CIFC25 H24 O4 SP 1 21/c 110.8495; 9.9471; 19.6318
90; 94.688; 90
2111.6Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541925 CIFC25 H32 O3 SP b c a16.05; 11.2326; 24.8893
90; 90; 90
4487.1Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541926 CIFC20 H24 O3 SP 1 21/c 16.019; 22.9167; 13.0996
90; 101.525; 90
1770.47Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541927 CIFC19 H19 F3 O3 SP 21 21 215.6186; 8.359; 37.132
90; 90; 90
1743.9Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541928 CIFC34 H44 O5 SP 1 21/n 110.3966; 11.0245; 26.053
90; 91.85; 90
2984.6Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541929 CIFC25 H25 F O2P 1 21/c 110.3721; 18.7809; 10.7938
90; 110.397; 90
1970.8Chang, Meng-Yang; Cheng, Yu-Chieh
Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Organic letters, 2016, 18, 608-611
1541930 CIFC18 H92 N18 Ni3 O52 Sb6 V15C 1 2 118.2404; 22.7636; 14.3542
90; 126.449; 90
4794.2Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang
Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates
Chem. Sci., 2016, 7, 2684
1541931 CIFC18 H90 Co3 N18 O51 Sb6 V15C 1 2 118.2302; 22.6142; 14.4067
90; 126.36; 90
4783Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang
Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates
Chem. Sci., 2016, 7, 2684
1541932 CIFC18 H90 Fe3 N18 O51 Sb6 V15C 1 2 118.1991; 22.626; 14.3614
90; 126.193; 90
4772.5Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang
Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates
Chem. Sci., 2016, 7, 2684
1541933 CIFC18 H72 N18 Ni3 O42 Sb6 V15P 3 2 123.7437; 23.7437; 14.9586
90; 90; 120
7303.3Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang
Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates
Chem. Sci., 2016, 7, 2684
1542253 CIFC90.09 H108.55 Cl24.19 N12 O6.18 Pd6I 21 331.4049; 31.4049; 31.4049
90; 90; 90
30973.6Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542254 CIFC88.77 H103.38 Cl21.54 N12 O4.92 Pd6I 21 331.495; 31.495; 31.495
90; 90; 90
31241Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542255 CIFC88.81 H104.7 Cl21.61 N12 O5.54 Pd6I 21 331.3834; 31.3834; 31.3834
90; 90; 90
30910.1Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542256 CIFC88.28 H102.34 Cl20.56 N12 O4.89 Pd6I 21 331.4527; 31.4527; 31.4527
90; 90; 90
31115Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542257 CIFC88.82 H106.67 Cl21.63 N12 O6.52 Pd6I 21 331.493; 31.493; 31.493
90; 90; 90
31235Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542258 CIFC47.41 H49.41 Cl22.23 N6 O Pd3I -4 3 d31.3274; 31.3274; 31.3274
90; 90; 90
30744.9Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542259 CIFC88.53 H106.99 Cl21.07 N12 O6.96 Pd6I 21 331.3922; 31.3922; 31.3922
90; 90; 90
30936.1Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542260 CIFC88.34 H103.54 Cl20.68 N12 O5.43 Pd6I 21 331.3469; 31.3469; 31.3469
90; 90; 90
30802.3Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542261 CIFC88.49 H103.18 Cl20.98 N12 O5.1 Pd6I 21 331.4043; 31.4043; 31.4043
90; 90; 90
30971.9Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542262 CIFC88.52 H103.31 Cl21.04 N12 O5.14 Pd6I 21 331.4477; 31.4477; 31.4477
90; 90; 90
31100.4Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Chem. Sci., 2016, 7, 2217
1542263 CIFC24.5 H17 Cl N O S0.5P b c n15.9195; 13.7674; 17.3771
90; 90; 90
3808.54Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.
Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle
Chem. Sci., 2016, 7, 2201
1542264 CIFC36 H24 N2 O2 S3P 1 21/n 18.1912; 20.1704; 18.0457
90; 97.807; 90
2953.87Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.
Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle
Chem. Sci., 2016, 7, 2201
1542265 CIFC42 H28 N2 O2 S2P 1 21/c 119.365; 12.947; 13.257
90; 106.41; 90
3188.4Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.
Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle
Chem. Sci., 2016, 7, 2201
1542266 CIFC14 H22 F12 Mg N2 O13 S4P 1 21/n 110.1949; 8.4085; 35.446
90; 96.69; 90
3017.9Terada, Shoshi; Mandai, Toshihiko; Suzuki, Soma; Tsuzuki, Seiji; Watanabe, Katsuya; Kamei, Yutaro; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Thermal and Electrochemical Stability of Tetraglyme‒Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability
The Journal of Physical Chemistry C, 2016, 120, 1353
1542267 CIFC15 H11 N O4 SP 21 21 216.9902; 10.327; 18.799
90; 90; 90
1357.1Lai, Bo-Nan; Qiu, Jian-Feng; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An
Stereoselective Synthesis of Fused Aziridines via One-Pot Sequential Decarboxylative Mannich Reaction and Oxidative C-H Amination of Cyclic Imines with β-Ketoacids.
Organic letters, 2016, 18, 520-523
1542268 CIFC29 H40 O10P 1 21 18.3056; 28.5217; 12.1649
90; 90.909; 90
2881.38Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min
Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.
Organic letters, 2016, 18, 444-447
1542269 CIFC29 H40 O11P 1 21 18.7852; 14.5469; 11.599
90; 110.9; 90
1384.79Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min
Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.
Organic letters, 2016, 18, 444-447
1542270 CIFC16 H15 N3 O3P 1 21/c 18.0689; 13.762; 14.911
90; 115.54; 90
1494Amiri, Nayereh; Rofouei, Mohammad K.; Ghasemi, Jahan B.
Multivariate optimization, preconcentration and determination of mercury ions with (1-(p-acetyl phenyl)-3-(o-methyl benzoate)) triazene in aqueous samples using ICP-AES
Anal. Methods, 2016, 8, 1111
1542271 CIFC18 H34 Cr N4P b c a11.3075; 17.5868; 20.908
90; 90; 90
4157.8Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.
A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity
Chem. Sci., 2016, 7, 2532
1542272 CIFC77 H150 Cr2 K2 N12 O12P -113.565; 13.6133; 14.3228
117.74; 103.515; 90.421
2255.3Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.
A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity
Chem. Sci., 2016, 7, 2532
1542273 CIFC20 H36 Cr N4 OP b c a16.6334; 14.8352; 18.1191
90; 90; 90
4471.1Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.
A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity
Chem. Sci., 2016, 7, 2532
1542274 CIFC23 H42 Cr N4 OP 1 21/c 110.3071; 27.649; 18.4003
90; 99.891; 90
5165.8Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.
A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity
Chem. Sci., 2016, 7, 2532
1542275 CIFC21 H22 N4 OP c c n20.862; 10.4975; 16.69
90; 90; 90
3655.1Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.
Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles
Chem. Sci., 2016, 7, 2302
1542276 CIFC25 H28 N4 O5 SP 1 c 17.4546; 18.7124; 34.4314
90; 91.776; 90
4800.6Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.
Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles
Chem. Sci., 2016, 7, 2302
1542277 CIFC25 H29 N3 O3 SP 1 21/n 113.2995; 10.5425; 16.004
90; 93.024; 90
2240.8Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.
Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles
Chem. Sci., 2016, 7, 2302
1542278 CIFC52 H68 B2 S4P 1 21/n 19.0044; 16.9419; 15.943
90; 95.155; 90
2422.29Yin, Xiaodong; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder
Luminescent Main-Chain Organoborane Polymers: Highly Robust, Electron-Deficient Poly(oligothiophene borane)s via Stille Coupling Polymerization
Macromolecules, 2016, 49, 537
1542279 CIFC42 H28 Cu La4 N6 O38 S2P -19.4008; 11.5017; 13.7959
108.56; 106.079; 97.893
1316.5Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo
A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes
Catal. Sci. Technol., 2016, 6, 3727
1542280 CIFC10 H16 N6 Na O6 VP -17.9375; 8.7365; 12.1972
102.684; 107.187; 103.796
745.41Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.
Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution
Chem. Sci., 2016, 7, 2775
1542281 CIFC5 H7 N3 Na O4 VP 1 21/c 115.0543; 5.507; 10.1794
90; 101.569; 90
826.77Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.
Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution
Chem. Sci., 2016, 7, 2775
1542282 CIFC12 H26 Ga2 O6P 1 21/c 18.15438; 8.28026; 12.8297
90; 92.0637; 90
865.7Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.
Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides
Polym. Chem., 2016, 7, 2022
1542283 CIFC12 H26 In2 O6P 16.9927; 8.3025; 8.4128
76.086; 83.924; 87.628
471.36Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.
Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides
Polym. Chem., 2016, 7, 2022
1542284 CIFC12 H26 In2 O6P 1 21/c 18.27; 8.4677; 13.1476
90; 91.014; 90
920.55Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.
Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides
Polym. Chem., 2016, 7, 2022
1542285 CIFC18 H28 Ga2 N2 O2P 1 2/n 18.0739; 8.5229; 14.463
90; 97.288; 90
987.2Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.
Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides
Polym. Chem., 2016, 7, 2022
1542286 CIFC27 H40 N4 O7P 21 21 219.9794; 14.104; 19.268
90; 90; 90
2712Almeida, Celso; Maddah, Fayrouz El; Kehraus, Stefan; Schnakenburg, Gregor; König, Gabriele M
Endolides A and B, Vasopressin and Serotonin-Receptor Interacting N-Methylated Peptides from the Sponge-Derived Fungus Stachylidium sp.
Organic letters, 2016, 18, 528-531
1542287 CIFC19 H22 O5P 1 21 19.873; 7.792; 11.34
90; 91.557; 90
872.1Shaffer, Corena V.; Cai, Shengxin; Peng, Jiangnan; Robles, Andrew J.; Hartley, Rachel M.; Powell, Douglas R.; Du, Lin; Cichewicz, Robert H.; Mooberry, Susan L.
Texas Native Plants Yield Compounds with Cytotoxic Activities against Prostate Cancer Cells.
Journal of natural products, 2016, 79, 531-540
1542288 CIFFe2 O9 Se3P 63/m7.872; 7.872; 7.3258
90; 90; 120
393.15Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier
Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids
The Journal of Physical Chemistry C, 2016, 120, 1650
1542289 CIFFe2 H3 O9 P3P 63/m8.0195; 8.0195; 7.37
90; 90; 120
410.481Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier
Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids
The Journal of Physical Chemistry C, 2016, 120, 1650
1542290 CIFC15 H9 Cl3 N3 O3 ReP 1 21/n 110.7568; 11.9888; 14.3677
90; 108.538; 90
1756.7Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P.
Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces
The Journal of Physical Chemistry C, 2016, 120, 1657
1542291 CIFC16 H8 Cl3 N4 O3 ReP 1 21/n 18.3755; 11.7615; 19.164
90; 100.728; 90
1854.8Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P.
Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces
The Journal of Physical Chemistry C, 2016, 120, 1657
1542292 CIFC28 H28 N2 O4P 1 21 19.0877; 15.0437; 9.2994
90; 111.757; 90
1180.78Garve, Lennart K. B.; Petzold, Martin; Jones, Peter G.; Werz, Daniel B.
[3 + 3]-Cycloaddition of Donor-Acceptor Cyclopropanes with Nitrile Imines Generated in Situ: Access to Tetrahydropyridazines.
Organic letters, 2016, 18, 564-567
1542293 CIFC24 H30 N2 O2P -18.721; 11.0214; 11.5267
101.563; 96.6362; 110.424
996.22Zhu, Zhengbo; Seidel, Daniel
An Ugi Reaction Incorporating a Redox-Neutral Amine C-H Functionalization Step.
Organic letters, 2016, 18, 631-633
1542294 CIFC48 H66 S3 Si2P -19.8336; 14.2701; 16.3902
83.637; 85.505; 83.306
2265.2Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan
Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity
Chem. Sci., 2016, 7, 3036
1542295 CIFC50 H66 S4 Si2P -17.4217; 19.0953; 19.1877
63.238; 89.851; 79.162
2374.2Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan
Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity
Chem. Sci., 2016, 7, 3036
1542296 CIFC52 H66 S5 Si2P -114.9964; 18.3543; 19.3746
96.6629; 99.0302; 98.7364
5151.9Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan
Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity
Chem. Sci., 2016, 7, 3036
1542297 CIFC54 H68 S4 Si2P 1 21/n 16.9436; 21.6735; 33.9795
90; 94.396; 90
5098.6Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan
Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity
Chem. Sci., 2016, 7, 3036
1542298 CIFC50 H34 N2 SeP 1 21/c 110.2218; 9.8805; 20.3205
90; 117.561; 90
1819.4Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan
High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion
Chem. Sci., 2016, 7, 2888
1542299 CIFC57 H59 F6 Ir N7 PP 1 21/n 114.9598; 22.5882; 16.6294
90; 112.453; 90
5193.3Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming
Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging
Chem. Sci., 2016, 7, 3123
1542300 CIFC42 H40 F3 Ir N6 O3 S3P b c a13.346; 19.6302; 30.1437
90; 90; 90
7897.2Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming
Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging
Chem. Sci., 2016, 7, 3123
1542301 CIFC42 H40 F3 Ir N6 O3 S3P -115.8141; 16.3895; 18.8888
67.048; 67.5521; 82.559
4165.4Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming
Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging
Chem. Sci., 2016, 7, 3123
1542302 CIFC44 H44 F3 Ir N6 O3 S3P -111.6716; 12.4594; 14.7489
74.683; 86.255; 83.689
2054.6Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming
Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging
Chem. Sci., 2016, 7, 3123
1542304 CIFC19 H24 N2 OP 21 21 216.955; 10.6206; 23.9572
90; 90; 90
1769.63Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng
Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.
Organic letters, 2016, 18, 654-657
1542305 CIFC19 H24 N2 OP 21 21 218.0376; 12.1437; 32.747
90; 90; 90
3196.3Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng
Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.
Organic letters, 2016, 18, 654-657
1542306 CIFC31 H30 O9 SeP 21 21 216.22509; 17.41592; 26.9154
90; 90; 90
2918.05McDonagh, Anthony W.; Mahon, Mary F.; Murphy, Paul V.
Lewis Acid Induced Anomerization of Se-Glycosides. Application to Synthesis of α-Se-GalCer.
Organic letters, 2016, 18, 552-555
1542307 CIFC22 H18 N2 O3C 1 2/c 123.4378; 11.3628; 14.9029
90; 117.124; 90
3532.43Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.
The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy
Chem. Sci., 2016, 7, 2706
1542308 CIFC14 H10 Br N O4 SP -17.608; 9.473; 9.93
99.76; 96.941; 90.08
700Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata
Directing group assisted meta-hydroxylation by C‒H activation
Chem. Sci., 2016, 7, 3147
1542309 CIFC16 H12 F N O5 SP -18.087; 8.59; 11.637
87.857; 79.184; 79.188
779.9Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata
Directing group assisted meta-hydroxylation by C‒H activation
Chem. Sci., 2016, 7, 3147
1542310 CIFC16 H12 Cl2 N O5 SP 21 21 215.327; 15.367; 19.69
90; 90; 90
1611.8Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata
Directing group assisted meta-hydroxylation by C‒H activation
Chem. Sci., 2016, 7, 3147
1542311 CIFC45.5 H52.5 N6 O1.5 ZnP 1 21 18.3889; 21.3112; 11.195
90; 93.127; 90
1998.43Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages
Chem. Sci., 2016, 7, 2614
1542312 CIFC230 H132 F24 N37 O28 P3 S2 Zn4P 1 21/c 129.307; 45.11; 26.896
90; 91.52; 90
35545Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages
Chem. Sci., 2016, 7, 2614
1542313 CIFC350 H327 F24 N51 O27 S8 Zn10P -3 c 135.224; 35.224; 43.354
90; 90; 120
46584Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages
Chem. Sci., 2016, 7, 2614
1542314 CIFC29 H38 O8P 41 21 215.0258; 15.0258; 24.0607
90; 90; 90
5432.3Chen, Chien-Chih; Tzeng, Tsai-Teng; Chen, Chin-Chu; Ni, Ching-Li; Lee, Li-Ya; Chen, Wan-Ping; Shiao, Young-Ji; Shen, Chien-Chang
Erinacine S, a Rare Sesterterpene from the Mycelia of Hericium erinaceus.
Journal of natural products, 2016, 79, 438-441
1542315 CIFC32 H30 N4 O6P 1 21/c 111.84; 10.52; 23.1
90; 96.951; 90
2856.1Ghorai, Anupam; Mondal, Jahangir; Saha, Rajat; Bhattacharya, Sumantra; Patra, Goutam K.
A highly sensitive reversible fluorescent-colorimetric azino bis-Schiff base sensor for rapid detection of Pb2+in aqueous media
Anal. Methods, 2016, 8, 2032
1542316 CIFC12 H32 Ge13.75 N2 O31 Si1.25P n m a16.8108; 19.7138; 23.9394
90; 90; 90
7933.6Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua
A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity
Chem. Sci., 2016, 7, 3025
1542317 CIFC18 H18 Cl N O SP -16.3258; 8.2673; 16.726
78.52; 85.68; 79.53
842.3Wan, Jie-Ping; Zhong, Shanshan; Xie, Lili; Cao, Xiaoji; Liu, Yunyun; Wei, Li
KIO3-Catalyzed Aerobic Cross-Coupling Reactions of Enaminones and Thiophenols: Synthesis of Polyfunctionalized Alkenes by Metal-Free C-H Sulfenylation.
Organic letters, 2016, 18, 584-587
1542318 CIFC20 H32 O2P 21 21 2111.1378; 11.3745; 13.5667
90; 90; 90
1718.72Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.
Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?
Chem. Sci., 2016, 7, 3102
1542319 CIFC24 H20 La N O9C 1 c 118.4394; 13.7828; 8.116
90; 92.319; 90
2060.96Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu
Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework
Chem. Sci., 2016, 7, 1070
1542320 CIFC85 H121.5 Fe2 N3.5 O6P 1 21/c 115.518; 20.0893; 26.9179
90; 104.175; 90
8136Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.
Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand
Chem. Sci., 2016, 7, 1594
1542321 CIFC84 H120 Fe N3 O6 ZnP 1 21/c 115.5857; 20.1236; 26.8587
90; 104.233; 90
8165.4Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.
Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand
Chem. Sci., 2016, 7, 1594
1542322 CIFC41.5 H54 N4 O2 ZnP 1 21 114.208; 20.222; 14.512
90; 108.954; 90
3943.4Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.
Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand
Chem. Sci., 2016, 7, 1594
1542323 CIFC68 H37 Co N19P n a 2118.9411; 8.6917; 33.5158
90; 90; 90
5517.7Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542324 CIFC68 H37 Co N19P n a 2119.087; 8.742; 33.634
90; 90; 90
5612Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542325 CIFC68 H37 Co N19P n a 2118.969; 8.681; 33.397
90; 90; 90
5499Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542326 CIFC68 H37 Co N19P n a 2119.2853; 8.727; 33.589
90; 90; 90
5653.1Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542327 CIFC68 H37 Co N19P n a 2118.967; 8.6864; 33.532
90; 90; 90
5524.6Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542328 CIFC68 H37 Co N19P n a 2119.074; 8.705; 33.611
90; 90; 90
5581Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Chem. Sci., 2016, 7, 1569
1542329 CIFC38 H52 Br2 S4P 1 21/c 122.597; 8.0328; 20.9789
90; 98.073; 90
3770.3Keerthi, Ashok; An, Cunbin; Li, Mengmeng; Marszalek, Tomasz; Ricciardulli, Antonio Gaetano; Radha, Boya; Alsewailem, Fares D.; Müllen, Klaus; Baumgarten, Martin
Dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b‘]dithiophene: a novel building-block for a planar copolymer
Polym. Chem., 2016, 7, 1545
1542332 CIFC16 H17 O4 PP 1 21 18.4621; 10.291; 8.8558
90; 105.314; 90
743.81Bigler, Raphael; Mezzetti, Antonio
Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts
Organic Process Research & Development, 2016, 20, 253
1542333 CIFC32 H32 O6 P2P 18.4358; 8.6021; 9.8323
104.212; 98.226; 96.026
677.2Bigler, Raphael; Mezzetti, Antonio
Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts
Organic Process Research & Development, 2016, 20, 253
1542334 CIFC47.5 H34.25 F12 N10.75 P2 RuP 1 21/c 120.7004; 32.7257; 14.3246
90; 107.689; 90
9245.2Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M.
Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA
Chem. Sci., 2016, 7, 3075
1542335 CIFC33 H34.5 Cl2.5 Cu F6 N3 O4 PP 1 21/c 114.59; 17.504; 28.499
90; 101.456; 90
7133Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.
High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes
Chem. Sci., 2016, 7, 3154
1542336 CIFC60 H60 N4 O8P -19.688; 11.374; 13.628
100.535; 110.126; 109.435
1252.4Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.
High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes
Chem. Sci., 2016, 7, 3154
1542337 CIFC61 H75 Cl2 N5 O5P 1 21/c 110.1938; 25.558; 21.504
90; 91.243; 90
5601.2Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.
High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes
Chem. Sci., 2016, 7, 3154
1542338 CIF
HKL
C414 H324P -121.4238; 24.3862; 32.254
78.729; 76.442; 69.579
15231.9Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1542339 CIF
HKL
C340 H338C 1 2/c 140.4249; 19.5832; 34.5941
90; 104.404; 90
26525.6Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1542340 CIF
HKL
C388 H398P -119.769; 20.688; 21.451
99.349; 97.218; 114.704
7678.8Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1542341 CIFC19 H16 F4 N2P 1 21/n 112.3203; 6.9979; 19.3532
90; 102.017; 90
1632Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio
Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.
Organic letters, 2016, 18, 756-759
1542342 CIFC10 H12 F4 N2 OP b c a7.1579; 12.4992; 24.3054
90; 90; 90
2174.6Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio
Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.
Organic letters, 2016, 18, 756-759

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