Crystallography Open Database

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7115714 CIFC28 H24P -19.036; 9.48; 12.9
111.14; 98.54; 98.34
995Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu
Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging
Chem.Commun., 2014, 50, 12058
7115715 CIFC30 H28P 4/n :212.9991; 12.9991; 6.573
90; 90; 90
1110.7Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu
Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging
Chem.Commun., 2014, 50, 12058
7115716 CIFC9 H4 N4 ZnI -4 3 m16.9615; 16.9615; 16.9615
90; 90; 90
4879.7Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang
A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake
Chem.Commun., 2014, 50, 12065
7115717 CIFC8 H12 N6 ZnI m -3 m29.3187; 29.3187; 29.3187
90; 90; 90
25201.9Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang
A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake
Chem.Commun., 2014, 50, 12065
7115718 CIFC29.5 H18 B2 Cl F20 N OP 1 21 18.8098; 21.0038; 17.4138
90; 98.837; 90
3183.99Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners
Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature
Chem.Commun., 2014, 50, 12146
7115719 CIFC H7 B Cl NP n m a12.7715; 6.5471; 5.2055
90; 90; 90
435.26Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners
Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature
Chem.Commun., 2014, 50, 12146
7115720 CIFC26 H30 N4 O10 Pd3R -3 :H27.371; 27.371; 10.3756
90; 90; 120
6731.7Sandeep Pimparkar; Masilamani Jeganmohan
Palladium-catalyzed cyclization of benzamides with arynes: application to the synthesis of phenaglydon and N-methylcrinasiadine
Chem.Commun., 2014, 50, 12116
7115727 CIFC130 H118 Cl4 Cu2 F12 Fe4 N8 O P2P -113.306; 15.0432; 16.3418
105.93; 93.409; 112.27
2861.3Manik Lal Saha; Nikita Mittal; Jan W. Bats; Michael Schmittel
A six-component metallosupramolecular pentagon via self-sorting
Chem.Commun., 2014, 50, 12189
7115728 CIFC88 H78 N3 S5P -18.9864; 14.484; 40.078
90.144; 90.062; 107.934
4963Ganesan Karthik; A. Srinivasan; C. H. Suresh; Tavarekere K. Chandrashekar
Fused core-modified planar antiaromatic 32pi heptaphyrins: unusual synthesis and structural diversity
Chem.Commun., 2014, 50, 12127
7115729 CIFC88 H79 N3 S3 Se2P -18.933; 14.5081; 40.1827
90.036; 89.997; 107.971
4953.6Ganesan Karthik; A. Srinivasan; C. H. Suresh; Tavarekere K. Chandrashekar
Fused core-modified planar antiaromatic 32pi heptaphyrins: unusual synthesis and structural diversity
Chem.Commun., 2014, 50, 12127
7115730 CIFC11 H13 N O3P c a 2113.1081; 9.6334; 8.0059
90; 90; 90
1010.95Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao
Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature
Chem.Commun., 2014, 50, 12135
7115731 CIFC11 H17 N O3P 1 21/c 111.9758; 6.7; 14.3713
90; 110.07; 90
1083.1Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao
Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature
Chem.Commun., 2014, 50, 12135
7115732 CIFC18 H24 N O4P 1 c 112.7071; 4.847; 14.6978
90; 98.347; 90
895.67Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao
Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature
Chem.Commun., 2014, 50, 12135
7115733 CIFC11 H13 N O2P 1 21/c 120.667; 5.2935; 9.2989
90; 94.551; 90
1014.1Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao
Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature
Chem.Commun., 2014, 50, 12135
7115734 CIFC29 H46 Cl F10 N3 O S2P b c a26.1622; 17.7752; 15.1251
90; 90; 90
7033.8Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale
Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas
Chem.Commun., 2014, 50, 12050
7115735 CIFC74 H110 Cl2 F20 N10 O5 S5P -115.6225; 17.683; 18.4051
71.341; 69.884; 67.95
4317.4Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale
Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas
Chem.Commun., 2014, 50, 12050
7115736 CIFC24 H26 Cl F2 N7 O6P 1 21/c 17.3305; 23.581; 15.409
90; 97.282; 90
2642.1Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale
Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas
Chem.Commun., 2014, 50, 12050
7115737 CIFC23 H25 N O5 SP 1 21/c 111.074; 12.584; 15.635
90; 98.076; 90
2157.2Shuo Zhang; Zhengliang Xu; Jiong Jia; Chen-Ho Tung; Zhenghu Xu
Synthesis of spiroaminals by bimetallic Au/Sc relay catalysis: TMS as a traceless controlling group
Chem.Commun., 2014, 50, 12084
7115738 CIFC16 H24 N32 O0 Zn4P 1 c 119.2148; 13.3436; 10.6713
90; 95.038; 90
2725.5Shunshun Xiong; Youjin Gong; Hongxia Wang; Hailong Wang; Qiang Liu; Mei Gu; Xiaolin Wang; Banglin Chen; Zhiyong Wang
A new tetrazolate zeolite-like framework for highly selective CO2/CH4 and CO2/N2 separation
Chem.Commun., 2014, 50, 12101
7115739 CIFC66 H24 Cu6 N6 O32 S3R -3 m :H18.819; 18.819; 38.603
90; 90; 120
11840Chengling Song; Yabing He; Bin Li; Yajing Ling; Hailong Wang; Yunlong Feng; Rajamani Krishna; Banglin Chen
Enhanced CO2 sorption and selectivity by functionalization of a NbO-type metal-organic framework with polarized benzothiadiazole moieties
Chem.Commun., 2014, 50, 12105
7115740 CIFC62 H44 Al2 N4 O16P -111.8503; 12.3444; 14.6936
104.263; 90.576; 105.922
1996.31Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter
Supramolecular control over recognition and efficient detection of picric acid
Chem.Commun., 2014, 50, 12061
7115741 CIFC78 H58 Al2 N10 O30P -111.8132; 15.0997; 25.2353
96.757; 96.333; 108.853
4177.3Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter
Supramolecular control over recognition and efficient detection of picric acid
Chem.Commun., 2014, 50, 12061
7115742 CIFC40 H54 Al2 N6 O20P -19.3142; 11.313; 11.6842
74.397; 88.276; 70.465
1115.1Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter
Supramolecular control over recognition and efficient detection of picric acid
Chem.Commun., 2014, 50, 12061
7115743 CIFC42 H40 N6P -19.8125; 14.2149; 14.358
81.339; 71.164; 86.24
1873.53Mohamed El Garah; Artur Ciesielski; Nicolas Marets; Veronique Bulach; Mir Wais Hosseini; Paolo Samori
Molecular tectonics based nanopatterning of interfaces with 2D metal-organic frameworks (MOFs)
Chem.Commun., 2014, 50, 12250
7115744 CIFC9 H13 Cu Fe0.5 I N O PI -4 3 m29.2489; 29.2489; 29.2489
90; 90; 90
25022.4Mujahuddin M. Siddiqui; Shaikh M. Mobin; Irena Senkovska; Stefan Kaskel; Maravanji S. Balakrishna
Novel zeotype frameworks with soft cyclodiphosphazane linkers and soft Cu4X4 clusters as nodes
Chem.Commun., 2014, 50, 12273
7115745 CIFC18 H26 Br2 Cu2 Fe N2 P2I -4 3 m28.8993; 28.8993; 28.8993
90; 90; 90
24135.8Mujahuddin M. Siddiqui; Shaikh M. Mobin; Irena Senkovska; Stefan Kaskel; Maravanji S. Balakrishna
Novel zeotype frameworks with soft cyclodiphosphazane linkers and soft Cu4X4 clusters as nodes
Chem.Commun., 2014, 50, 12273
7115746 CIFC35 H56 Bi In N2P 1 21/n 18.741; 21.4064; 19.0397
90; 99.26; 90
3516.2C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz
Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}
Chem.Commun., 2014, 50, 12382
7115747 CIFC33 H51 Ga N2P -110.3656; 12.119; 13.7
71.293; 75.982; 73.618
1541.9C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz
Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}
Chem.Commun., 2014, 50, 12382
7115748 CIFC35 H56 Bi Ga N2P -19.0994; 12.0444; 16.5176
74.379; 79.774; 85.921
1715.2C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz
Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}
Chem.Commun., 2014, 50, 12382
7115749 CIFC35 H56 Al Bi N2P -111.594; 12.2244; 12.6546
72.804; 88.915; 89.682
1713.1C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz
Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}
Chem.Commun., 2014, 50, 12382
7115750 CIFC24 H36 Bi N7 O9P b c n13.9796; 15.2329; 13.2072
90; 90; 90
2812.47Luis M. P. Lima; Maryline Beyler; Fatima Oukhatar; Patricia Le Saec; Alain Faivre-Chauvet; Carlos Platas-Iglesias; Rita Delgado; Raphael Tripier
H2Me-do2pa: an attractive chelator with fast, stable and inert natBi3+ and 213Bi3+ complexation for potential alpha-radioimmunotherapy applications
Chem.Commun., 2014, 50, 12371
7115751 CIFC18 H14 Co I2 N2P 1 21/n 17.9139; 15.284; 14.611
90; 90.99; 90
1767Mohamed R. Saber; Kim R. Dunbar
Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes
Chem.Commun., 2014, 50, 12266
7115752 CIFC36 H30 Co I2 P2P 1 21/c 119.165; 10.198; 17.929
90; 112.23; 90
3243.7Mohamed R. Saber; Kim R. Dunbar
Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes
Chem.Commun., 2014, 50, 12266
7115753 CIFC36 H30 As2 Co I2P 1 21/c 119.117; 10.215; 18.245
90; 111.72; 90
3309.9Mohamed R. Saber; Kim R. Dunbar
Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes
Chem.Commun., 2014, 50, 12266
7115754 CIFC30 H28 N2P 1 21/n 110.9355; 18.231; 12.2805
90; 109.896; 90
2302.2Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo
Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane
Chem.Commun., 2014, 50, 12378
7115755 CIFC32 H34 N2R -323.567; 23.567; 12.095
90; 90; 120
5817.6Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo
Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane
Chem.Commun., 2014, 50, 12378
7115756 CIFC32 H36 N2R -323.7045; 23.7045; 11.91
90; 90; 120
5795.7Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo
Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane
Chem.Commun., 2014, 50, 12378
7115757 CIFC25 H22 N2 O2 SP 1 21/n 113.247; 11.312; 14.218
90; 109.78; 90
2004.9Hui Li; Xiaoxun Li; Hao-Yuan Wang; Gabrielle N. Winston-McPherson; Hao-miao Julie Geng; Ilia A. Guzei; Weiping Tang
Copper-catalyzed tandem annulation/arylation for the synthesis of diindolylmethanes from propargylic alcohols
Chem.Commun., 2014, 50, 12293
7115758 CIFC31 H26 N2 O2 SP 1 21/c 114.1262; 9.3818; 20.2526
90; 108.247; 90
2549.1Hui Li; Xiaoxun Li; Hao-Yuan Wang; Gabrielle N. Winston-McPherson; Hao-miao Julie Geng; Ilia A. Guzei; Weiping Tang
Copper-catalyzed tandem annulation/arylation for the synthesis of diindolylmethanes from propargylic alcohols
Chem.Commun., 2014, 50, 12293
7115759 CIFC6 H8 Mo N2 O6 P2P 1 21/n 17.1284; 9.7853; 18.2084
90; 94.13; 90
1266.8M. B. Geeson; A. R. Jupp; J. E. McGrady; J. M. Goicoechea
On the coordination chemistry of phosphinecarboxamide: assessing ligand basicity
Chem.Commun., 2014, 50, 12281
7115760 CIFC12 H12 N2P 1 21/c 17.7787; 8.3955; 15.691
90; 93.859; 90
1022.4Jia Meng; Yi-Jin Li; Yu-Long Zhao; Xiu-Bin Bu; Qun Liu
A base-catalyzed cycloisomerization of 5-cyano-pentyne derivatives: an efficient synthesis of 3-cyano-4,5-dihydro-1H-pyrroles
Chem.Commun., 2014, 50, 12490
7115761 CIFC88 H15 N2 O2 Sc3P 1 21/c 111.156; 21.026; 21.582
90; 96.297; 90
5032Yutaka Maeda; Masato Kimura; Chihiro Ueda; Michio Yamada; Toru Kikuchi; Mitsuaki Suzuki; Wei-Wei Wang; Naomi Mizorogi; Nikolaos Karousis; Nikos Tagmatarchis; Tadashi Hasegawa; Marilyn M. Olmstead; Alan L. Balch; Shigeru Nagase; Takeshi Akasaka
Isolation and characterization of [5,6]-pyrrolidino-Sc3N@Ih-C80 diastereomers
Chem.Commun., 2014, 50, 12552
7115762 CIFC16 H27 F N O2 P SP 21 21 234.891; 6.7332; 7.8957
90; 90; 90
1854.9Toshiaki Murai; Takae Hayashi; Kyohei Yamada; Yuuki Maekawa; Mao Minoura
Fluorinative hydrolysis of phosphorothioic acid esters with a binaphthyl group through axis-to-center chirality transfer leading to the formation of P-chiral phosphorothioic monofluoridic acid salts
Chem.Commun., 2014, 50, 12473
7115763 CIFC16 H12 Cl N O S2P -17.4568; 10.4808; 10.804
110.442; 98.772; 103.159
745.1Fei Huang; Ping Wu; Liandi Wang; Jiping Chen; Chenglin Sun; Zhengkun Yu
Copper-mediated intramolecular oxidative C-H/N-H cross-coupling of alpha-alkenoyl ketene N,S-acetals to synthesize pyrrolone derivatives
Chem.Commun., 2014, 50, 12479
7115764 CIFC40 H8 Cl4 F30 N2 O4P 1 21/c 120.971; 20.21; 10.319
90; 95.733; 90
4352Chunming Liu; Chengyi Xiao; Yan Li; Wenping Hu; Zhibo Li; Zhaohui Wang
High performance, air stable n-type single crystal transistors based on core-tetrachlorinated perylene diimides
Chem.Commun., 2014, 50, 12462
7115765 CIFC22 H24 Br N OP 1 21 18.705; 9.823; 11.361
90; 97.49; 90
963.2Mu-Wang Chen; Xian-Feng Cai; Zhang-Pei Chen; Lei Shi; Yong-Gui Zhou
Facile construction of three contiguous stereogenic centers via dynamic kinetic resolution in asymmetric transfer hydrogenation of quinolines
Chem.Commun., 2014, 50, 12526
7115766 CIFC21 H37 F N O6 P Si2 WP -113.1797; 14.2791; 15.1502
96.4947; 90.2543; 93.9588
2825.91Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel
Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes
Chem.Commun., 2014, 50, 12508
7115767 CIFC21 H39 N O6 P Si2 WP 1 21/c 114.7971; 15.3781; 12.4122
90; 95.438; 90
2811.7Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel
Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes
Chem.Commun., 2014, 50, 12508
7115768 CIFC21 H39 F N O6 P Si2 WP -19.1438; 12.6924; 13.4939
80.702; 85.6; 71.974
1469Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel
Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes
Chem.Commun., 2014, 50, 12508
7115769 CIFC20 H25 N5 OP 1 21/c 110.0802; 9.8139; 19.8569
90; 90.1493; 90
1964.4Cooper W. Johnston; Travis R. Schwantje; Michael J. Ferguson; Robert McDonald; Robin G. Hicks
Metal coordination, and metal-ligand redox non-innocence, modulates allosteric C-N bond homolysis in an N-benzyl tetrazine
Chem.Commun., 2014, 50, 12542

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