Crystallography Open Database

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7115928 CIFC29 H50 N8 O14 S4P -19.8126; 10.2605; 19.4731
96.737; 95.763; 94.085
1930.37Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu
Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage
Chem.Commun., 2014, 50, 14086
7115929 CIFC29 H50 N8 O14 S4P -19.8826; 10.2939; 9.8156
96.289; 95.622; 94.839
983.19Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu
Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage
Chem.Commun., 2014, 50, 14086
7115930 CIFC30 H52 N8 O14 S4P -19.7985; 9.8928; 10.2589
94.489; 97.927; 95.09
976.92Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu
Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage
Chem.Commun., 2014, 50, 14086
7115932 CIFC84 H54 Cl8P -19.326; 9.491; 20.374
91.17; 103.492; 115.22
1571.7Jaehyun Lee; Beomjin Kim; Ji Eon Kwon; Joonghan Kim; Daisuke Yokoyama; Katsuaki Suzuki; Hidetaka Nishimura; Atsushi Wakamiya; Soo Young Park; Jongwook Park
Excimer formation in organic emitter films associated with a molecular orientation promoted by steric hindrance
Chem.Commun., 2014, 50, 14145
7115933 CIFC25 H21 B2 F8 N6 NiP -6 2 c18.058; 18.058; 14.612
90; 90; 120
4126.5Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun
Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
Chem.Commun., 2014, 50, 14153
7115934 CIFC29 H29 B2 F8 N6 Ni O0P 1 21/n 111.0812; 23.7229; 13.0438
90; 113.471; 90
3145.2Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun
Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
Chem.Commun., 2014, 50, 14153
7115935 CIFC27 H29 B2 F8 N5 Ni O2P b c n10.5139; 14.6832; 40.182
90; 90; 90
6203.2Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun
Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
Chem.Commun., 2014, 50, 14153
7115936 CIFC43 H46 B2 F8 N8 NiP 1 21/c 110.3663; 28.64; 16.685
90; 107.34; 90
4728.5Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun
Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
Chem.Commun., 2014, 50, 14153
7115937 CIFC48 H30P 1 21/c 19.6393; 10.6477; 32.761
90; 96.789; 90
3338.9Baharan Karamzadeh; Thomas Eaton; Izabela Cebula; David Munoz Torres; Markus Neuburger; Marcel Mayor; Manfred Buck
Bestowing structure upon the pores of a supramolecular network
Chem.Commun., 2014, 50, 14175
7115938 CIFC19 H14 Cl N O3P 21 21 215.7067; 13.4355; 20.825
90; 90; 90
1596.7Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla
Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions
Chem.Commun., 2014, 50, 14187
7115939 CIFC86 H74 Ca O15 P2P 1 21 18.2594; 13.6877; 32.5308
90; 90.29; 90
3677.6Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla
Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions
Chem.Commun., 2014, 50, 14187
7115940 CIFC20 H21 N O3 SP 21 21 215.7366; 10.553; 30.046
90; 90; 90
1818.9Liman Kong; Xiaoyu Han; Peng Jiao
Catalytic asymmetric Diels-Alder reactions involving aryl vinyl ketones
Chem.Commun., 2014, 50, 14113
7115941 CIFC60 H60 Br2 N4 NiI -4 3 d25.945; 25.945; 25.945
90; 90; 90
17464.7Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen
The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical
Chem.Commun., 2014, 50, 14265
7115942 CIFC64 H68 Br2 N4 NiI -4 3 d26.4497; 26.4497; 26.4497
90; 90; 90
18503.9Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen
The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical
Chem.Commun., 2014, 50, 14265
7115943 CIFC72 H162 Au30 S19P -114.7299; 21.2699; 25.8105
111.285; 92.8643; 93.898
7493.2Huayan Yang; Yu Wang; Alison J. Edwards; Juanzhu Yan; Nanfeng Zheng
High-yield synthesis and crystal structure of a green Au30 cluster co-capped by thiolate and sulfide
Chem.Commun., 2014, 50, 14325
7115945 CIFC23 H17 Cl2 N O3P -19.8294; 10.05; 12.169
114.273; 97.114; 105.645
1016.8Yu Zhang; Ling Pan; Yunjia Zou; Xianxiu Xu; Qun Liu
Double oxidation of alpha-(alkylideneamino)nitriles to imides by molecular oxygen under mild basic conditions
Chem.Commun., 2014, 50, 14334
7115947 CIFC20 H8 O8 Pb2P -19.379; 10.013; 10.318
100.148; 91.407; 107.941
904.22Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson
A facile single crystal to single crystal transition with significant structural contraction on desolvation
Chem.Commun., 2014, 50, 14436
7115948 CIFC44 H30 O19 Pb4I 1 2 19.988; 17.698; 12.489
90; 95.59; 90
2197.2Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson
A facile single crystal to single crystal transition with significant structural contraction on desolvation
Chem.Commun., 2014, 50, 14436
7115949 CIFC22 H18 O11 Pb2I 1 2/a 110.037; 17.698; 12.687
90; 96.75; 90
2238Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson
A facile single crystal to single crystal transition with significant structural contraction on desolvation
Chem.Commun., 2014, 50, 14436
7115950 CIFC24 H8 Cu2 O14R -3 m :H18.6935; 18.6935; 38.3901
90; 90; 120
11618Qi Zhang; Jiancan Yu; Jianfeng Cai; Ruijing Song; Yuanjing Cui; Yu Yang; Banglin Chen; Guodong Qian
A porous metal-organic framework with -COOH groups for highly efficient pollutant removal
Chem.Commun., 2014, 50, 14455
7115951 CIFC19 H17 Br O2P 21 21 215.5798; 15.675; 19.082
90; 90; 90
1669De-Yang Zhang; Fu-Lin Zhu; Ya-Hui Wang; Xin-Hu Hu; Song Chen; Chuan-Jin Hou; Xiang-Ping Hu
Highly diastereo- and enantioselective copper-catalyzed propargylic alkylation of acyclic ketone enamines for the construction of two vicinal stereocenters
Chem.Commun., 2014, 50, 14459
7115952 CIFC54 H52 Br2 N2 O14P 1 21 112.0921; 12.0539; 18.6826
90; 100.115; 90
2680.8Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang
An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds
Chem.Commun., 2014, 50, 14601
7115953 CIFC25 H26 Cl N O6P 1 21 110.766; 8.7896; 13.4136
90; 108.706; 90
1202.26Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang
An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds
Chem.Commun., 2014, 50, 14601
7115954 CIFC4.14 H3.71 Br0.14 Mn0.14 N0.29 O0.86P -111.3412; 11.5546; 12.4448
71.684; 69.151; 79.227
1441.62Federico Franco; Claudio Cometto; Federico Ferrero Vallana; Fabrizio Sordello; Emanuele Priola; Claudio Minero; Carlo Nervi; Roberto Gobetto
A local proton source in a [Mn(bpy-R)(CO)3Br]-type redox catalyst enables CO2 reduction even in the absence of Bronsted acids
Chem.Commun., 2014, 50, 14670
7115955 CIFC16 H84 Cu2 Ge2 N30 O79 Sn2 W18P 1 21/n 112.2645; 18; 22.276
90; 94.009; 90
4905.6Xiao-Jing Sang; Jian-Sheng Li; Lan-Cui Zhang; Zai-Ming Zhu; Wei-Lin Chen; Guang Li; Zhong-Min Su; En-Bo Wang
Two carboxyethyltin functionalized polyoxometalates for assembly on carbon nanotubes as efficient counter electrode materials in dye-sensitized solar cells
Chem.Commun., 2014, 50, 14678
7115956 CIFC16 H86 Co2 Ge2 N30 O80 Sn2 W18P 1 21/c 112.43; 18.096; 25.144
90; 115.63; 90
5099Xiao-Jing Sang; Jian-Sheng Li; Lan-Cui Zhang; Zai-Ming Zhu; Wei-Lin Chen; Guang Li; Zhong-Min Su; En-Bo Wang
Two carboxyethyltin functionalized polyoxometalates for assembly on carbon nanotubes as efficient counter electrode materials in dye-sensitized solar cells
Chem.Commun., 2014, 50, 14678
7115957 CIFC56 H22 F20 N4 O S2P 1 21/n 117.201; 15.424; 19.135
90; 111.208; 90
4733Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta
Doubly N-confused isophlorin: synthesis, structure and copper coordination
Chem.Commun., 2014, 50, 14593
7115958 CIFC56 H18 F20 N4 S2P 1 21/c 111.9072; 25.4953; 24.165
90; 99.372; 90
7238Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta
Doubly N-confused isophlorin: synthesis, structure and copper coordination
Chem.Commun., 2014, 50, 14593
7115959 CIFC58 H19 Cl4 Cu F20 N4 S2P b c a31.3073; 21.1481; 16.0579
90; 90; 90
10631.8Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta
Doubly N-confused isophlorin: synthesis, structure and copper coordination
Chem.Commun., 2014, 50, 14593
7115960 CIFC14 H8 Cu N2 O6R -3 :H18.569; 18.569; 40.907
90; 90; 120
12215Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su
Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation
Chem.Commun., 2014, 50, 14631
7115961 CIFC14 H8 Cu N2 O5R -3 :H18.9171; 18.9171; 37.995
90; 90; 120
11775Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su
Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation
Chem.Commun., 2014, 50, 14631
7115962 CIFC100 Cl22 Sb2C 1 2/m 132.422; 12.092; 10.021
90; 106.81; 90
3760.8Maria A. Fritz; Erhard Kemnitz; Sergey I. Troyanov
Capturing an unstable C100 fullerene as chloride, C100(1)Cl12, with a nanotubular carbon cage
Chem.Commun., 2014, 50, 14577
7115963 CIFC15 H9 F3 N2P 1 21/c 110.0878; 29.196; 9.8586
90; 119.112; 90
2536.8Zhi-Jun Yang; Chuan-Zhuo Liu; Bo-Lun Hu; Chen-Liang Deng; Xing-Guo Zhang
Oxidative tandem nitrosation/cyclization of N-aryl enamines with nitromethane toward 3-(trifluoromethyl)quinoxalines
Chem.Commun., 2014, 50, 14554
7115964 CIFC15 H9 F3 N2 OI 41/a :220.088; 20.088; 13.191
90; 90; 90
5322.9Zhi-Jun Yang; Chuan-Zhuo Liu; Bo-Lun Hu; Chen-Liang Deng; Xing-Guo Zhang
Oxidative tandem nitrosation/cyclization of N-aryl enamines with nitromethane toward 3-(trifluoromethyl)quinoxalines
Chem.Commun., 2014, 50, 14554
7115965 CIFC20 H18 Br Fe NP 21 21 216.0455; 9.354; 29.031
90; 90; 90
1641.7Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian
Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage
Chem.Commun., 2014, 50, 14531
7115966 CIFC17 H17 Fe NP 1 21 16.0146; 23.0686; 9.9522
90; 96.97; 90
1370.65Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian
Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage
Chem.Commun., 2014, 50, 14531
7115967 CIFC27 H24 Fe O2P 1 21 15.8706; 24.6518; 14.8502
90; 90.859; 90
2148.89Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian
Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage
Chem.Commun., 2014, 50, 14531
7115968 CIFC25 H25 Fe NP 21 21 216.0693; 17.2089; 19.2688
90; 90; 90
2012.55Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian
Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage
Chem.Commun., 2014, 50, 14531
7115969 CIFC216 H96 N48 Ni18 O156F m -3 m39.7164; 39.7164; 39.7164
90; 90; 90
62648Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu
Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes
Chem.Commun., 2014, 50, 14674
7115970 CIFC216 H96 Co18 N48 O156F m -3 m39.7703; 39.7703; 39.7703
90; 90; 90
62903.8Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu
Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes
Chem.Commun., 2014, 50, 14674
7115971 CIFC21 H19 Br O4P 3211.7082; 11.7082; 11.9217
90; 90; 120
1415.3Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju
N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums
Chem.Commun., 2014, 50, 14539
7115972 CIFC20 H22 O8C 1 2 120.454; 7.1698; 15.6356
90; 121.607; 90
1952.8Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju
N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums
Chem.Commun., 2014, 50, 14539
7115973 CIFC4 Cu D8 F2 N2 O2P -14.9115; 5.4216; 6.187
99.8; 105.24; 92.078
156.07A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi
New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]
Chem.Commun., 2014, 50, 14504
7115974 CIFC2 Cu D6 F2 N O2C 1 2/c 121.1341; 7.553; 6.881
90; 100.331; 90
1080.58A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi
New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]
Chem.Commun., 2014, 50, 14504
7115975 CIFC20 H40 Mn3 O12P -19.0326; 9.2075; 17.277
102.916; 91.393; 111.202
1297Constantina Papatriantafyllopoulou; Sotiris Zartilas; Manolis J. Manos; Celine Pichon; Rodolphe Clerac; Anastasios J. Tasiopoulos
A single-chain magnet based on linear [MnIII2MnII] units
Chem.Commun., 2014, 50, 14873
7115976 CIFC22 H18 F3 N O S2P 1 21/n 19.958; 14.937; 14.131
90; 106.072; 90
2019.7Jinhuan Dong; Ling Pan; Xianxiu Xu; Qun Liu
Alpha-Trifluoromethyl-(indol-3-yl)methanols as trifluoromethylated C3 1,3-dipoles: [3+2] cycloaddition for the synthesis of 1-(trifluoromethyl)-cyclopenta[b]indole alkaloids
Chem.Commun., 2014, 50, 14797
7115978 CIFC25 H23 Br N3 O4 S2P 21 21 218.9006; 16.8997; 17.3802
90; 90; 90
2614.3Hao Cai; Yu Zhou; Dong Zhang; Jinyi Xu; Hong Liu
A Mannich/cyclization cascade process for the asymmetric synthesis of spirocyclic thioimidazolidineoxindoles
Chem.Commun., 2014, 50, 14771
7115979 CIFC15 H15 N O8P -17.86237; 8.12348; 13.2849
75.63; 74.174; 70.759
758.94Pandurang V. Chouthaiwale; Fujie Tanaka
Reactions of pyruvates: organocatalytic synthesis of functionalized dihydropyrans in one pot and further transformations to functionalized carbocycles and heterocycles
Chem.Commun., 2014, 50, 14881
7115980 CIFC18 H22 N2 O10P -15.3668; 9.7102; 19.0151
85.986; 84.364; 83.867
978.72Pandurang V. Chouthaiwale; Fujie Tanaka
Reactions of pyruvates: organocatalytic synthesis of functionalized dihydropyrans in one pot and further transformations to functionalized carbocycles and heterocycles
Chem.Commun., 2014, 50, 14881
7115981 CIFC48 N6 O28 P6 ZrR -3 :H60.6741; 60.6741; 5.12775
90; 90; 120
16348Marco Taddei; Ferdinando Costantino; Fabio Marmottini; Angiolina Comotti; Piero Sozzani; Riccardo Vivani
The first route to highly stable crystalline microporous zirconium phosphonate metal-organic frameworks
Chem.Commun., 2014, 50, 14831

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