Crystallography Open Database

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7154103 CIFC20 H21 N O2P 1 21/c 15.421; 11.015; 28.258
90; 100.74; 90
1657.8Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.
Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.
Organic & biomolecular chemistry, 2014, 12, 9797-9810
7154104 CIFC18 H18 O4C 1 2/c 129.664; 6.1441; 19.888
90; 121.936; 90
3076.1Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa
Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.
Organic & biomolecular chemistry, 2014, 12, 8828-8831
7154105 CIFC30 H23 N5 O16P 1 21 16.462; 21.405; 11.722
90; 105.001; 90
1566.1Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.
Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.
Organic & biomolecular chemistry, 2014, 12, 9324
7154106 CIFC27 H33 N5 O7P 1 21 110.3833; 10.5874; 13.2957
90; 111.926; 90
1355.9Prasanna, R.; Purushothaman, S.; Raghunathan, R.
Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.
Organic & biomolecular chemistry, 2014, 12, 9375
7154107 CIFC35 H39 N5 O7P 1 21 110.104; 15.7277; 10.7107
90; 106.895; 90
1628.6Prasanna, R.; Purushothaman, S.; Raghunathan, R.
Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.
Organic & biomolecular chemistry, 2014, 12, 9375
7154108 CIFC15 H23 N2 O3.5 SC 1 2/c 120.584; 16.0252; 13.038
90; 128.09; 90
3384.9Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis
Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.
Organic & biomolecular chemistry, 2014, 12, 9350
7154109 CIFC10 H10 Cl N O4 SP 21 21 217.3279; 14.173; 22.626
90; 90; 90
2349.9Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna
A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.
Organic & biomolecular chemistry, 2014, 12, 9101-9104
7154110 CIFC12 H16 O3P 21 21 216.687; 19.034; 35.511
90; 90; 90
4520Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.
Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.
Organic & biomolecular chemistry, 2014, 12, 9439
7154111 CIFC14 H19.5 N5 O3.5P 21 21 218.5282; 10.7576; 41.024
90; 90; 90
3763.7Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.
Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.
Organic & biomolecular chemistry, 2014, 12, 9439
7154112 CIFC21 H17 N3 O2P 1 21/c 18.649; 21.553; 9.886
90; 109.782; 90
1734Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.
Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.
Organic & biomolecular chemistry, 2014, 12, 8997-9010
7154113 CIFC16 H14 N2 O3P 1 21/n 14.1847; 13.013; 24.919
90; 93.169; 90
1354.9Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.
Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.
Organic & biomolecular chemistry, 2014, 12, 8997-9010
7154114 CIFC26 H27 Cl2 Cu N5 OP -19.5245; 10.9766; 13.0812
66.231; 83.209; 83.846
1240.14Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
Transition metal ion induced hydrogelation by amino-terpyridine ligands.
Organic & biomolecular chemistry, 2014, 12, 8836-8839
7154115 CIFC23 H20 Cd Cl2 N4P n n a27.5775; 27.9449; 10.4795
90; 90; 90
8076Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
Transition metal ion induced hydrogelation by amino-terpyridine ligands.
Organic & biomolecular chemistry, 2014, 12, 8836-8839
7154116 CIFC21 H16 Cl2 N4 ZnP 1 21/n 112.524; 9.51563; 16.6958
90; 108.479; 90
1887.11Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
Transition metal ion induced hydrogelation by amino-terpyridine ligands.
Organic & biomolecular chemistry, 2014, 12, 8836-8839
7154117 CIFC21 H16 Cd Cl2 N4P 1 21/n 112.9203; 9.79833; 16.0669
90; 107.204; 90
1943.02Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
Transition metal ion induced hydrogelation by amino-terpyridine ligands.
Organic & biomolecular chemistry, 2014, 12, 8836-8839
7154118 CIFC21 H16 Cl2 Hg N4P 1 21/n 112.941; 9.8715; 16.0933
90; 107.168; 90
1964.27Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
Transition metal ion induced hydrogelation by amino-terpyridine ligands.
Organic & biomolecular chemistry, 2014, 12, 8836-8839
7154119 CIFC23 H19 N O3P 1 21/c 111.2184; 11.0939; 15.1186
90; 103.13; 90
1832.41Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong
Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.
Organic & biomolecular chemistry, 2014, 12, 9105-9108
7154120 CIFC22 H16 Br N O2P 1 21/c 117.3636; 10.3459; 9.9494
90; 92.111; 90
1786.1Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong
Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.
Organic & biomolecular chemistry, 2014, 12, 9105-9108
7154121 CIFC44 H30 N2 O4C 1 2/c 125.919; 11.2554; 11.6261
90; 101.271; 90
3326.3Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong
Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.
Organic & biomolecular chemistry, 2014, 12, 9105-9108
7154122 CIFC50 H43 N8 O4P 4113.4574; 13.4574; 23.307
90; 90; 90
4220.9Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth
A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.
Organic & biomolecular chemistry, 2014, 12, 8930-8941
7154123 CIFC38 H33 Cl N2 O6P 1 21/n 110.54; 18.518; 16.641
90; 98.845; 90
3209.4Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng
Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.
Organic & biomolecular chemistry, 2014, 12, 9366
7154124 CIFC32 H29 F N2 O6P -111.2629; 11.9759; 12.3346
81.629; 68.063; 65.327
1402.3Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng
Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.
Organic & biomolecular chemistry, 2014, 12, 9366
7154125 CIFC32 H27 N3 O2C 1 2 117.5165; 5.8865; 23.614
90; 94.997; 90
2425.61Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng
Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.
Organic & biomolecular chemistry, 2014, 12, 9539-9546
7154126 CIFC18 H15 N O3P 3213.4156; 13.4156; 28.813
90; 90; 120
4491Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154127 CIFC16 H19 N O3P 15.9167; 10.9747; 12.2265
64.424; 82.594; 89.995
708.78Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154128 CIFC36 H30 N2 O6P 21 21 2112.2096; 13.7443; 18.0044
90; 90; 90
3021.4Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154129 CIFC36 H30 N2 O6P 21 21 219.7337; 13.9495; 22.104
90; 90; 90
3001.3Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154130 CIFC32 H38 N2 O6P 21 21 217.704; 14.23; 26.5
90; 90; 90
2905Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154131 CIFC28 H26 N2 O10P 21 21 218.021; 15.273; 21.484
90; 90; 90
2631.9Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154132 CIFC39 H41 N3 O12P 6512.38; 12.38; 42.393
90; 90; 120
5627Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7154135 CIFC22 H31 N O3C 1 2 132.485; 5.3094; 11.662
90; 91.786; 90
2010.4Shah, Sayali; White, Jonathan M.; Williams, Spencer J.
Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.
Organic & biomolecular chemistry, 2014, 12, 9427
7154136 CIFC15 H15 NP -17.7019; 9.4338; 10.0092
63.0521; 68.8273; 71.1657
593.34Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji
Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.
Organic & biomolecular chemistry, 2014, 12, 9109-9112
7154137 CIFC32 H26 N2 O6P 1 21/n 113.3524; 9.2448; 21.2654
90; 91.8315; 90
2623.67Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.
Remote conformational control of a molecular switch via methylation and deprotonation.
Organic & biomolecular chemistry, 2014, 12, 9384
7154138 CIFC31 H24 N2 O6P 1 21/c 111.2591; 24.5888; 9.3566
90; 108.437; 90
2457.4Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.
Remote conformational control of a molecular switch via methylation and deprotonation.
Organic & biomolecular chemistry, 2014, 12, 9384
7154139 CIFC47 H59 N3 O6P -18.3232; 15.9988; 16.915
106.384; 101.55; 101.955
2032.23Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.
Remote conformational control of a molecular switch via methylation and deprotonation.
Organic & biomolecular chemistry, 2014, 12, 9384
7154140 CIFC17 H14 I N O5P 1 21/c 110.7835; 8.1115; 19.3202
90; 90.523; 90
1689.87Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Ningning; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang
Selective oxygenation of alkynes: a direct approach to diketones and vinyl acetate.
Organic & biomolecular chemistry, 2014, 12, 9909-9913
7154144 CIFC33 H33 N O5P 21 21 2111.012; 13.289; 18.958
90; 90; 90
2774.3Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo
Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.
Organic & biomolecular chemistry, 2014, 12, 9638-9643
7154145 CIFC33 H30 N3 O3 S2P -17.8264; 11.561; 16.718
96.36; 95.09; 102.82
1455.8Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping
Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.
Organic & biomolecular chemistry, 2014, 12, 9514-9518
7154146 CIFC35 H27 N3 O2 SP 1 21/c 110.2471; 15.4948; 17.7996
90; 105.211; 90
2727.2Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping
Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.
Organic & biomolecular chemistry, 2014, 12, 9514-9518
7154149 CIFC20 H20 N2 O4 SP -112.7896; 13.3917; 13.448
68.542; 63.471; 76.053
1909.6Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin
Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.
Organic & biomolecular chemistry, 2014, 12, 9466
7154151 CIFC24 H32 Br N0 O3 PP 1 21 119.8; 5.863; 20.83
90; 101.188; 90
2372Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154152 CIFC25 H30 N0 O4 PP 1 21 112.436; 5.7781; 15.9687
90; 92.534; 90
1146.3Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154153 CIFC22 H37 N0 O3 PP 15.7766; 12.208; 16.2225
83.552; 82.785; 78.777
1108.71Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154154 CIFC24 H33 N O5 PP 21 21 215.8926; 18.289; 22.043
90; 90; 90
2375.6Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154155 CIFC20 H24 Br O3 PP 1 21/n 110.4511; 19.5742; 11.0005
90; 117.362; 90
1998.6Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154156 CIFC30 H36 O3 PC 1 2 124.45; 5.8577; 20.328
90; 114.063; 90
2658.4Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154157 CIFC18 H22 Br O3 PP 1 21/c 115.6312; 5.9562; 19.6323
90; 92.006; 90
1826.7Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
Organic & biomolecular chemistry, 2014, 12, 9457
7154159 CIFC22 H29 N O2 S2P 1 21/c 115.737; 14.565; 20.694
90; 111.581; 90
4410.7Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu
Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.
Organic & biomolecular chemistry, 2014, 12, 9337
7154160 CIFC13 H19 N O2 SP 1 21/c 122.425; 8.478; 14.695
90; 108.438; 90
2650.4Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu
Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.
Organic & biomolecular chemistry, 2014, 12, 9337
7154184 CIFC14 H14 N4 O4P 21 21 218.769; 12.495; 13.68
90; 90; 90
3208.2Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian
A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.
Organic & biomolecular chemistry, 2014, 12, 9769-9772

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