Crystallography Open Database

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1542543 CIFC9 H6.2 N6 O0.1R -3 m :H12.657; 12.657; 9.296
90; 90; 120
1289.7Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
1542544 CIFC12 H17 F9 N6 O7P b c n12.335; 21.047; 7.89
90; 90; 90
2048.4Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
1542545 CIFC14 H3.5 F10.5 N7P 41 3 215.8427; 15.8427; 15.8427
90; 90; 90
3976.4Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
7118161 CIFC9 H15 Dy N2 O14P 1 21/n 110.1045; 15.4994; 10.4754
90; 102.207; 90
1603.5Liang Qin; Li-Xian Lin; Zhi-Ping Fang; Shui-Ping Yang; Gui-Hua Qiu; Jin-Xiang Chen; Wen-Hua Chen
A water-stable metal-organic framework of a zwitterionic carboxylate with dysprosium: a sensing platform for Ebolavirus RNA sequences
Chem.Commun., 2016, 52, 132
7118162 CIFC12 H16 N2 O4P 1 21 15.1412; 26.4969; 9.2776
90; 105.207; 90
1219.59Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed
Gelation by supramolecular dimerization of mono(urea)s
Chem.Commun., 2016, 52, 198
7118163 CIFC11 H14 N2 O4P -14.6214; 8.2787; 14.248
92.962; 94.351; 95.33
540.25Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed
Gelation by supramolecular dimerization of mono(urea)s
Chem.Commun., 2016, 52, 198
7118164 CIFC12 H16 N2 O4P -14.529; 9.009; 15.234
101.869; 93.598; 101.742
592Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed
Gelation by supramolecular dimerization of mono(urea)s
Chem.Commun., 2016, 52, 198
7118165 CIFC93 H14 N O2 S2 Sc3P n a 2119.9441; 15.7417; 14.9924
90; 90; 90
4706.9Maira R. Ceron; Marta Izquierdo; Nuria Alegret; Juan A. Valdez; Antonio Rodriguez-Fortea; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen
Reactivity differences of Sc3N at C2n (2n = 68 and 80). Synthesis of the first methanofullerene derivatives of Sc3N at D5h-C80
Chem.Commun., 2016, 52, 64
7118166 CIFC30 H49 B Fe N4 O2 Si2P 1 21/n 116.807; 12.849; 17.795
90; 114.07; 90
3509Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff
Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group
Chem.Commun., 2016, 52, 183
7118167 CIFC34 H57 B Fe N4 O2 Si2P 1 21/c 110.5605; 17.2867; 20.8645
90; 99.455; 90
3757.2Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff
Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group
Chem.Commun., 2016, 52, 183
7118168 CIFC71 H58 Cl4 N2 S2P 21 21 2113.4055; 15.0828; 29.1775
90; 90; 90
5899.5Ping Chen; Sheng-mei Lu; Wengang Guo; Yan Liu; Can Li
A highly enantioselective thiolation of sulfonyl indoles to access 3-sec-sulfur-substituted indoles in water
Chem.Commun., 2016, 52, 96
7118169 CIFC17 H19 Cl O5C 1 2 121.41; 9.115; 8.678
90; 90.827; 90
1693.4Qiang Sha; Hadi Arman; Michael P. Doyle
Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement
Chem.Commun., 2016, 52, 108
7118170 CIFC23 H22 Cl N O3P 21 21 219.258; 9.554; 22.789
90; 90; 90
2015.7Qiang Sha; Hadi Arman; Michael P. Doyle
Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement
Chem.Commun., 2016, 52, 108
7118171 CIFC96 H104 N7 O ReP -115.7923; 16.6247; 21.4456
70.8548; 70.4554; 71.4233
4872.6Jan Paulo T. Zaragoza; Maxime A. Siegler; David P. Goldberg
Rhenium(V)-oxo corrolazines: isolating redox-active ligand reactivity
Chem.Commun., 2016, 52, 167
7118172 CIFC18 H26 N3 Ni O2P 21 21 215.79; 10.095; 29.897
90; 90; 90
1747.5Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
Chem.Commun., 2016, 52, 202
7118173 CIFC24 H23 F2 N3 Ni O2P 21 21 2110.148; 11.913; 17.409
90; 90; 90
2104.6Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
Chem.Commun., 2016, 52, 202
7118174 CIFC21.5 H31 F N3 Ni O2.5P 21 21 2110.777; 10.97; 36.58
90; 90; 90
4325Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
Chem.Commun., 2016, 52, 202
7118175 CIFC15 H12 F2C 1 2/c 124.87; 5.944; 16.266
90; 107.995; 90
2287Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
Chem.Commun., 2016, 52, 202
7118176 CIFC15 H13 FC 1 c 17.74284; 17.2689; 8.39473
90; 91.1751; 90
1122.23Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
Chem.Commun., 2016, 52, 202
7118177 CIFC20 H26 N2 O6 SP 21 21 214.0216; 21.3117; 6.4976
90; 90; 90
1941.64Pedras, M. S. C.; To, Q. H.; Schatte, G.
Divergent reactivity of an indole glucosinolate yields Lossen or Neber rearrangement products: the phytoalexin rapalexin A or a unique β-d-glucopyranose fused heterocycle.
Chemical communications (Cambridge, England), 2016, 52, 2505-2508
7118178 CIFC60 H90 Li2 O12 ThR -3 :H14.8737; 14.8737; 24.3175
90; 90; 120
4658.9Pedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.
Synthesis, structure and bonding of hexaphenyl thorium(iv): observation of a non-octahedral structure.
Chemical communications (Cambridge, England), 2015, 52, 689-692
7118179 CIFC60 H78 Li2 O10 ThP 1 21/n 116.5641; 16.7043; 21.3854
90; 108.682; 90
5605.4Pedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.
Synthesis, structure and bonding of hexaphenyl thorium(iv): observation of a non-octahedral structure.
Chemical communications (Cambridge, England), 2015, 52, 689-692
7118185 CIFC29 H21 N OP 21 21 219.002; 13.225; 17.293
90; 90; 90
2058.8Barsu, Nagaraju; Sen, Malay; Premkumar, J. Richard; Sundararaju, Basker
Cobalt(iii) catalyzed C-8 selective C-H and C-O coupling of quinoline N-oxide with internal alkynes via C-H activation and oxygen atom transfer.
Chemical communications (Cambridge, England), 2016, 52, 1338-1341
7118186 CIFC12 H14 N6 O6P 1 21/n 19.22642; 9.71725; 18.0546
90; 101.605; 90
1585.6Erhardt, Hellmuth; Mohr, Fabian; Kirsch, Stefan F.
Synthesis of geminal bis- and tristriazoles: exploration of unconventional azide chemistry.
Chemical communications (Cambridge, England), 2016, 52, 545-548
7118187 CIFC31 H25 N9 O6P 1 21/n 114.6712; 12.489; 17.0137
90; 106.677; 90
2986.3Erhardt, Hellmuth; Mohr, Fabian; Kirsch, Stefan F.
Synthesis of geminal bis- and tristriazoles: exploration of unconventional azide chemistry.
Chemical communications (Cambridge, England), 2016, 52, 545-548
7118188 CIFC33 H35 Cl2 I N4 O PdP -110.7622; 12.8238; 13.4282
114.432; 100.558; 93.044
1641.4Vicente-Hernández, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia
A new type of oxidative addition of an iodoarene to a Pd(ii) complex.
Chemical communications (Cambridge, England), 2016, 52, 594-596
7118189 CIFC40 H38 Cu2 N9 O12 S2P 4/n c c11.4766; 11.4766; 30.5554
90; 90; 90
4024.5Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.
Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.
Chemical communications (Cambridge, England), 2016, 52, 609-612
7118190 CIFC20 H20 Cu N4 O8 S2P 4/n c c11.5095; 11.5095; 15.4286
90; 90; 90
2043.8Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.
Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.
Chemical communications (Cambridge, England), 2016, 52, 609-612
7118196 CIFC77 H100 N4 O10 Pd SiP 1 21/c 124.3213; 10.002; 32.0407
90; 111.912; 90
7231.2Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André
Catenane-based mechanically-linked block copolymers.
Chemical communications (Cambridge, England), 2016, 52, 2149-2152
7118197 CIFC75 H96 N4 O10 Pd SiC 1 2/c 139.473; 12.053; 35.42
90; 114.26; 90
15364Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André
Catenane-based mechanically-linked block copolymers.
Chemical communications (Cambridge, England), 2016, 52, 2149-2152
7118198 CIFC75 H93 N4 O13 PdI 1 2/a 137.2375; 11.7434; 32.5955
90; 101.666; 90
13959.4Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André
Catenane-based mechanically-linked block copolymers.
Chemical communications (Cambridge, England), 2016, 52, 2149-2152
7118199 CIFC22 H29 O PP 1 21/c 115.6981; 7.4997; 16.6619
90; 93.155; 90
1958.65Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Cyclopropane formation under frustrated Lewis pair conditions.
Chemical communications (Cambridge, England), 2016, 52, 2695-2697
7118200 CIFC22 H29 PP -18.3322; 8.5865; 13.0867
87.833; 85.945; 86.322
931.49Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Cyclopropane formation under frustrated Lewis pair conditions.
Chemical communications (Cambridge, England), 2016, 52, 2695-2697
7118201 CIFC43 H37 B F15 O P SiP 1 21/c 110.8091; 25.3584; 16.9567
90; 96.133; 90
4621.25Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Cyclopropane formation under frustrated Lewis pair conditions.
Chemical communications (Cambridge, England), 2016, 52, 2695-2697
7118202 CIFC25 H6 B F15 OP -19.4516; 12.1427; 12.2399
110.414; 100.07; 97.111
1269.99Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Cyclopropane formation under frustrated Lewis pair conditions.
Chemical communications (Cambridge, England), 2016, 52, 2695-2697
7118203 CIFC96 H110 F12 N8 O18 P2P -112.01; 13.437; 16.32
106.161; 102.667; 98.007
2411Han, Ying; Meng, Zheng; Chen, Chuan-Feng
Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.
Chemical communications (Cambridge, England), 2016, 52, 590-593
7118204 CIFC90 H96 F12 N2 O16 P2P -113.799; 15.7; 22.416
104.6; 96.36; 107.93
4377Han, Ying; Meng, Zheng; Chen, Chuan-Feng
Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.
Chemical communications (Cambridge, England), 2016, 52, 590-593
7118205 CIFC80 H88 Cl6 F12 N2 O16 P2C 1 2/c 120.956; 17.451; 24.943
90; 109.498; 90
8599Han, Ying; Meng, Zheng; Chen, Chuan-Feng
Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.
Chemical communications (Cambridge, England), 2016, 52, 590-593
7118206 CIFC92 H104 F12 N2 O20 P2P -112.778; 12.983; 14.022
108.815; 93.025; 100.752
2147Han, Ying; Meng, Zheng; Chen, Chuan-Feng
Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.
Chemical communications (Cambridge, England), 2016, 52, 590-593
7118207 CIFC32 H29 N O2 SP 1 21/c 111.62; 11.0673; 21.125
90; 98.311; 90
2688.2Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118208 CIFC26 H25 N O2 SP 1 21/n 113.926; 10.6835; 14.955
90; 92.243; 90
2223.3Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118209 CIFC26 H27 N O3 SP 1 21/n 110.4657; 19.751; 12.477
90; 114.712; 90
2342.9Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118210 CIFC24 H21 N O2 SP 1 21/c 110.6663; 10.8826; 18.121
90; 103.78; 90
2042.9Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118211 CIFC24 H21 N O2 SP 1 21/c 114.001; 12.335; 11.587
90; 95.497; 90
1991.9Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118212 CIFC24 H21 N O2 SP 1 21/c 18.9249; 9.9995; 22.944
90; 107.13; 90
1956.8Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Chemical communications (Cambridge, England), 2016, 52, 2811-2814
7118213 CIFC54 H58 N3 P2 RhP 1 21/n 113.58; 21.768; 17.29
90; 111.548; 90
4754Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Chemical communications (Cambridge, England), 2016, 52, 586-589
7118214 CIFC48 H48 N3 P2 RhP 1 21/c 116.185; 18.144; 15.477
90; 118.406; 90
3998Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Chemical communications (Cambridge, England), 2016, 52, 586-589
7118215 CIFC72 H66 N3 P2 RhP 1 21/n 113.567; 28.198; 16.293
90; 109.213; 90
5886Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Chemical communications (Cambridge, England), 2016, 52, 586-589
7118216 CIFC98 H96 N6 P4 Rh2C 1 2/c 142.986; 17.237; 27.577
90; 119.527; 90
17779Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Chemical communications (Cambridge, England), 2016, 52, 586-589
7118217 CIFC60 H56 N3 P2 RhP 1 21/n 113.907; 27.103; 16.593
90; 112.133; 90
5793Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Chemical communications (Cambridge, England), 2016, 52, 586-589

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