Crystallography Open Database

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7116082 CIFC23 H16 N2C 1 2/c 136.98; 5.904; 15.103
90; 90.257; 90
3297Kentaro Okuma; Tomohiro Koga; Saori Ozaki; Yutaro Suzuki; Kenta Horigami; Noriyoshi Nagahora; Kosei Shioji; Masatora Fukuda; Masanobu Deshimaru
One-pot synthesis of dibenzo[b,h][1,6]naphthyridines from 2-acetylaminobenzaldehyde: application to a fluorescent DNA-binding compound
Chem.Commun., 2014, 50, 15525
7116083 CIFC24 H15 B F4 O8 S8P -17.1083; 10.939; 18.0093
78.1857; 82.3285; 89.7204
1358.06Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori
Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties
Chem.Commun., 2014, 50, 15557
7116084 CIFC12 H8 O4 S4C 2 2 213.999; 29.96; 10.493
90; 90; 90
1257.2Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori
Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties
Chem.Commun., 2014, 50, 15557
7116085 CIFC24 H15 B F4 O8 S8P -17.2453; 9.7714; 10.8976
66.6688; 85.6578; 79.0863
695.62Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori
Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties
Chem.Commun., 2014, 50, 15557
7116087 CIFC32 H28 N2 O2P 1 21/c 16.5198; 16.3244; 24.2413
90; 94.884; 90
2570.68Xihong Liu; Jinlong Zhang; Shixiong Ma; Yunxia Ma; Rui Wang
Oxidative cross-dehydrogenative coupling between N-aryl tetrahydroisoquinolins and 5H-oxazol-4-ones through two methodologies: copper catalysis or a metal-free strategy
Chem.Commun., 2014, 50, 15714
7116088 CIFC84 H87 N9C 1 2/c 126.9032; 16.3699; 19.1527
90; 90.698; 90
8434.3Koushik Acharyya; Partha Sarathi Mukherjee
A fluorescent organic cage for picric acid detection
Chem.Commun., 2014, 50, 15788
7116089 CIFC34 H31 N O2P b c a13.2828; 10.65296; 37.6191
90; 90; 90
5323.15Jiangang Mao; Weiliang Bao
Palladium-catalyzed [2+1+1] annulation of norbornenes with (z)-bromostyrenes: synthesis of bismethylenecyclobutanes via twofold C(sp2)-H bond activation
Chem.Commun., 2014, 50, 15726
7116090 CIFC20 H19 N SiP 1 21/c 111.649; 8.213; 17.429
90; 93.953; 90
1663.5Huanhuan Li; Yang Wang; Kai Yuan; Ye Tao; Runfeng Chen; Chao Zheng; Xinhui Zhou; Junfeng Li; Wei Huang
Efficient synthesis of pi-extended phenazasilines for optical and electronic applications
Chem.Commun., 2014, 50, 15760
7116091 CIFC20 H17 N SiP 1 21/n 19.4672; 17.673; 10.494
90; 115.36; 90
1586.6Huanhuan Li; Yang Wang; Kai Yuan; Ye Tao; Runfeng Chen; Chao Zheng; Xinhui Zhou; Junfeng Li; Wei Huang
Efficient synthesis of pi-extended phenazasilines for optical and electronic applications
Chem.Commun., 2014, 50, 15760
7116092 CIFC13 H18 O2C 1 2/c 19.001; 11.207; 20.96
90; 90.919; 90
2114Gamal A. I. Moustafa; Yuki Saku; Hiroshi Aoyama; Takehiko Yoshimitsu
A new route to platencin via decarboxylative radical cyclization
Chem.Commun., 2014, 50, 15706
7116093 CIFC24 H44 B Br N2 Ni P2P b c a11.7353; 14.3656; 32.1047
90; 90; 90
5412.4Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez
Boryl-assisted hydrogenolysis of a nickel-methyl bond
Chem.Commun., 2014, 50, 15718
7116094 CIFC25 H47 B N2 Ni P2P b c a11.6644; 14.3785; 32.0458
90; 90; 90
5374.6Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez
Boryl-assisted hydrogenolysis of a nickel-methyl bond
Chem.Commun., 2014, 50, 15718
7116095 CIFC36 H60 K2 Mg N2 O3P 1 21/n 112.69; 20.959; 14.541
90; 97.25; 90
3836.5T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel
From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl
Chem.Commun., 2014, 50, 15677
7116096 CIFC56 H80 Cl2 Mg2 N4C 1 2/m 118.096; 18.733; 11.813
90; 123.1; 90
3354.7T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel
From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl
Chem.Commun., 2014, 50, 15677
7116097 CIFC56 H80 Br2 Mg2 N4P 1 21/n 114.183; 14.692; 14.201
90; 108.37; 90
2808.4T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel
From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl
Chem.Commun., 2014, 50, 15677
7116098 CIFC36 H60 Mg N2 O2P b c a16.25; 16.383; 26.392
90; 90; 90
7026T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel
From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl
Chem.Commun., 2014, 50, 15677
7116099 CIFC37 H50 N3 O4 TbP -17.901; 14.273; 16.298
69.07; 76.98; 85.52
1673Hidetaka Nakai; Takahiro Goto; Kazuhiro Kitagawa; Kyoshiro Nonaka; Takahiro Matsumoto; Seiji Ogo
A highly luminescent and highly oxygen-sensitive Tb(III) complex with a tris-aryloxide functionalised 1,4,7-triazacyclononane ligand
Chem.Commun., 2014, 50, 15737
7116100 CIFC33 H46 Ga NP 1 21/c 18.0037; 42.296; 9.1578
90; 98.422; 90
3066.7Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo
Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms
Chem.Commun., 2014, 50, 15740
7116101 CIFC29 H38 Ga NP -18.2055; 11.8092; 14.0991
74.329; 87.125; 76.022
1276.31Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo
Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms
Chem.Commun., 2014, 50, 15740
7116102 CIFC29 H24 F3 Mn N6 O6P 1 21 19.2447; 15.2085; 10.6362
90; 98.28; 90
1479.8Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider
Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide
Chem.Commun., 2014, 50, 15692
7116103 CIFC21 H17 F3 Mn N5 O5P b c a16.0897; 14.5131; 19.1832
90; 90; 90
4479.5Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider
Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide
Chem.Commun., 2014, 50, 15692
7116104 CIFC27 H27 Br N2 O5P 1 21 15.8905; 23.7962; 9.09712
90; 102.961; 90
1242.67Yang Li; Francisco Javier Lopez-Delgado; Danny Kaare Bech Jorgensen; Rune Pagh Nielsen; Hao Jiang; Karl Anker Jorgensen
Trienamine-mediated asymmetric [4+2]-cycloaddition of alpha,beta-unsaturated ester surrogates applying 4-nitro-5-styrylisoxazoles
Chem.Commun., 2014, 50, 15689
7116105 CIFC53 H38 N6 O20 Zn2C 1 2/c 138.596; 15.279; 23.6
90; 101.29; 90
13648Di-Chang Zhong; Lie-Qiang Liao; Ji-Hua Deng; Qing Chen; Ping Lian; Xu-Zhong Luo
A rare (3,4,5)-connected metal-organic framework featuring an unprecedented 1D + 2D > 3D self-interpenetrated array and an O-atom lined pore surface: structure and controlled drug release
Chem.Commun., 2014, 50, 15807
7116106 CIFC103 H158 Ag B Cl8 O P4 Pt2P 1 21/c 123.5269; 16.7472; 27.9343
90; 111.548; 90
10237.2Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider
Silver(I) and thallium(I) cations as unsupported bridges between two metal bases
Chem.Commun., 2014, 50, 15685
7116107 CIFC96 H144 B Cl8 P4 Pt2 TlP 1 21/c 120.429; 17.201; 27.925
90; 99.446; 90
9680Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider
Silver(I) and thallium(I) cations as unsupported bridges between two metal bases
Chem.Commun., 2014, 50, 15685
7116108 CIFC48 H53 Ag B Cl8 F Fe2 O6 P4P b c a18.93; 23.904; 26.047
90; 90; 90
11786Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider
Silver(I) and thallium(I) cations as unsupported bridges between two metal bases
Chem.Commun., 2014, 50, 15685
7116109 CIFC36 H30 Cu3 N6 O21P 1 21/c 115.418; 34.135; 10.1886
90; 105.446; 90
5168.5Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116110 CIFC34 H26 Cu3 N4 O20P 1 21/c 115.331; 32.5; 10.05
90; 107.451; 90
4777Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116111 CIFC34 H30 Cu3 N4 O20P 1 21/c 115.286; 32.626; 10.053
90; 107.2; 90
4789.4Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116112 CIFC36 H34 Cu3 N4 O20P 1 21/c 115.348; 32.866; 10.1122
90; 106.642; 90
4887.2Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116113 CIFC34 H26 Cu3 N4 O20P 1 21/c 115.3086; 32.447; 10.0075
90; 107.563; 90
4739.2Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116114 CIFC34 H26 Cu3 N4 O20P 1 21/c 115.317; 32.467; 10.015
90; 107.51; 90
4750Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116115 CIFC34 H30 Cu3 N4 O20P 1 21/c 115.3248; 32.715; 10.0565
90; 107.143; 90
4817.8Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116116 CIFC34 H30 Cu3 N4 O20P 1 21/c 115.319; 32.72; 10.0665
90; 107.137; 90
4821.7Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116117 CIFC36 H34 Cu3 N4 O20P 1 21/c 115.337; 32.832; 10.1057
90; 106.549; 90
4877.9Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116118 CIFC36 H34 Cu3 N4 O20P 1 21/c 115.3332; 32.852; 10.1075
90; 106.565; 90
4880.1Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu
A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature
Chem.Commun., 2014, 50, 15886
7116119 CIFC26 H21 N O3P b c a7.4208; 19.207; 29.746
90; 90; 90
4239.7Arash Mouradzadegun; Fatemeh Abadast
An improved organic/inorganic solid receptor for colorimetric cyanide-chemosensing in water: towards new mechanism aspects, simplistic use and portability
Chem.Commun., 2014, 50, 15983
7116120 CIFC32 H27 N3 O5 SP -110.1408; 10.8111; 13.136
103.814; 92.891; 95.161
1389RahulKumar Rajmani Singh; Rai-Shung Liu
Gold-catalyzed 1,2-iminonitronation of electron-deficient alkynes with nitrosoarenes to afford alpha-imidoyl nitrones
Chem.Commun., 2014, 50, 15864
7116121 CIFC20 H20 N2 O6P 1 21/c 111.8424; 10.9091; 16.0091
90; 105.318; 90
1994.7RahulKumar Rajmani Singh; Rai-Shung Liu
Gold-catalyzed 1,2-iminonitronation of electron-deficient alkynes with nitrosoarenes to afford alpha-imidoyl nitrones
Chem.Commun., 2014, 50, 15864
7116122 CIFC27 H20 Cl2 N4 O4P -110.0965; 10.8426; 12.8065
111.085; 101.692; 96.127
1255.95Xu-Hui Jin; Cheng Chen; Cai-Xia Ren; Li-Xuan Cai; Jie Zhang
Bright white-light emission from a novel donor-acceptor organic molecule in the solid state via intermolecular charge transfer
Chem.Commun., 2014, 50, 15878
7116123 CIFC40 H30 Cl N3 OP 21 21 2112.3755; 12.5125; 22.536
90; 90; 90
3489.7Wei Tan; Xin Li; Yu-Xin Gong; Meng-Di Ge; Feng Shi
Highly diastereo- and enantioselective construction of a spiro[cyclopenta[b]indole-1,3?-oxindole] scaffold via catalytic asymmetric formal [3+2] cycloadditions
Chem.Commun., 2014, 50, 15901
7116124 CIFC22 H24 N2 O2P 21 21 218.435; 11.876; 19.47
90; 90; 90
1950.4Yu Tan; Yong-Jian Chen; Hua Lin; Han-Lin Luan; Xing-Wen Sun; Xiao-Di Yang; Guo-Qiang Lin
A highly efficient asymmetric synthesis of quaternary stereocenter-containing indolizidine and quinolizidine alkaloids using aldehydes, nitroalkenes, and unactivated cyclic ketimines
Chem.Commun., 2014, 50, 15913
7116125 CIFC24 H22 N2 O4P 1 21/c 17.3687; 19.169; 14.7014
90; 102.277; 90
2029.1Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray
Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly
Chem.Commun., 2014, 50, 15960
7116126 CIFC24 H22 N2 O4P 1 21/c 17.4665; 19.1328; 14.8336
90; 102.249; 90
2070.8Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray
Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly
Chem.Commun., 2014, 50, 15960
7116127 CIFC42 H38 N4 O6P -111.9841; 12.6106; 13.7902
109.918; 103.137; 102.958
1801.6Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray
Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly
Chem.Commun., 2014, 50, 15960
7116128 CIFC78.8 H97.6 I4 O15.7P -114.9822; 16.9494; 17.6201
96.532; 101.584; 113.2
3935.3L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen
Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors
Chem.Commun., 2014, 50, 15920
7116129 CIFC103 H111 I4 N7 O8C 1 2/c 127.3028; 12.2692; 29.324
90; 90.8176; 90
9822.1L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen
Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors
Chem.Commun., 2014, 50, 15920
7116130 CIFC99 H147 Br2 Cl3 I4 N2 O11P 1 21/c 124.4168; 24.5753; 19.1408
90; 106.621; 90
11005.6L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen
Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors
Chem.Commun., 2014, 50, 15920
7116131 CIFC26 H36 N2 O2P -15.3824; 7.5543; 13.7185
84.481; 81.449; 83.467
546.23Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe
Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide
Chem.Commun., 2014, 50, 15967
7116132 CIFC32 H48 N2 O4 ZrP 4110.4058; 10.4058; 28.767
90; 90; 90
3114.91Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe
Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide
Chem.Commun., 2014, 50, 15967

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