Crystallography Open Database

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7111793 CIFC68 H5 F12 O0.1C 1 2/c 139.5; 10.1407; 20.1901
90; 113.254; 90
7430.3James B. Whitaker; Igor V. Kuvychko; Natalia B. Shustova; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina
An elusive fulvene 1,7,11,24-C60(CF3)4 and its unusual reactivity
Chem.Commun., 2014, 50, 1205
7111794 CIFC13 H7 F5 N2 O3P 1 21/c 110.421; 10.421; 12.704
90; 114.19; 90
1258.5Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111795 CIFC13 H7 F4 N2 O3P 1 21/c 110.1699; 10.3825; 12.3583
90; 108.977; 90
1233.98Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111796 CIFC13 H9 F3 N2 O3P 1 21/c 110.1728; 10.4501; 12.2561
90; 109.116; 90
1231.1Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111797 CIFC13 H9 F3 N2 O3P 1 21/c 110.4383; 10.2939; 12.3077
90; 110.475; 90
1238.93Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111798 CIFC13 H9 F3 N2 O3P -17.2331; 7.7199; 12.597
73.687; 84.34; 66.993
621.3Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111799 CIFC13 H9 F3 N2 O3P -13.8198; 7.5011; 21.814
98.435; 93.169; 97.474
611.25Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111800 CIFC13 H9 F2 N2 O3P -17.0231; 7.4789; 12.6456
74.419; 87.775; 70.545
602.33Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111801 CIFC13 H8 F2 N2 O3P -18.3252; 12.1896; 13.477
107.408; 102.834; 94.816
1255.68Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111802 CIFC13 H10 F2 N2 O3P -17.2755; 7.6883; 12.595
73.583; 84.326; 66.372
619.06Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111803 CIFC13 H9 F3 N2 O3P -16.8789; 7.2488; 13.638
89.962; 81.279; 66.888
616.9Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111804 CIFC13 H9 F3 N2 O3P -17.7191; 10.869; 15.312
73.545; 86.948; 85.853
1228.1Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111805 CIFC13 H9 F2 N2 O3C 1 2/c 122.92; 5.2259; 20.566
90; 97.914; 90
2439.9Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111806 CIFC13 H12 F2 N2 O4P 1 c 13.7357; 15.625; 10.926
90; 93.614; 90
636.49Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111807 CIFC13 H10 F2 N2 O3P -16.57; 7.68; 13.084
92.357; 90.759; 109.87
620.1Ritesh Dubey; Gautam R. Desiraju
Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal
Chem.Commun., 2014, 50, 1181
7111808 CIFC27 H39 N2 O9 S1.5C 1 2/c 131.44; 8.72; 22.886
90; 117.22; 90
5580Jennie A. Hickin; Afshan Ahmed; Katharina Fuck; Margaret Ashcroft; Keith Jones
The synthesis and structure revision of NSC-134754
Chem.Commun., 2014, 50, 1238
7111809 CIFC20 H22 Cl N2 O2P -18.1957; 8.7315; 12.9688
96.755; 99.39; 92.439
907.46Alex Lauber; Benjamin Zelenay; Jan Cvengros
Asymmetric synthesis of N-stereogenic molecules: diastereoselective double aza-Michael reaction
Chem.Commun., 2014, 50, 1195
7111810 CIFC58 H68 N4 Se2 Zn2P 1 21/n 112.812; 15.463; 14.313
90; 112.843; 90
2613.2S. Gondzik; S. Schulz; D. Blaser; C. Wolper
Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates
Chem.Commun., 2014, 50, 1189
7111811 CIFC50 H68 N4 O2 Zn2P -110.6645; 11.1272; 11.991
72.859; 73.051; 61.825
1178.84S. Gondzik; S. Schulz; D. Blaser; C. Wolper
Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates
Chem.Commun., 2014, 50, 1189
7111812 CIFC70 H78 F2 N4 O4 Te2 Zn2P 1 21/c 112.3389; 15.5903; 17.848
90; 107.579; 90
3273.04S. Gondzik; S. Schulz; D. Blaser; C. Wolper
Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates
Chem.Commun., 2014, 50, 1189
7111813 CIFC66 H58 Cl6 F18 N12F d d d :214.6651; 25.318; 46.706
90; 90; 90
17342Joao M. M. Rodrigues; Andreia S. F. Farinha; Paulino V. Muteto; Sandra M. Woranovicz-Barreira; Filipe A. Almeida Paz; Maria G. P. M. S. Neves; Jose A. S. Cavaleiro; Augusto C. Tome; M. Teresa S. R. Gomes; Jonathan L. Sessler; Joao P. C. Tome
New porphyrin derivatives for phosphate anion sensing in both organic and aqueous media
Chem.Commun., 2014, 50, 1359
7111814 CIFC216 H274 Cl8 N8 O45C 1 2/c 140.0942; 14.3501; 20.0274
90; 107.931; 90
10963.2Mengfei Ni; Xiao-Yu Hu; Juli Jiang; Leyong Wang
The self-complexation of mono-urea-functionalized pillar[5]arenes with abnormal urea behaviors
Chem.Commun., 2014, 50, 1317
7111815 CIFC168 H214 N26 O20P 1 21/n 117.727; 20.2092; 22.915
90; 107.271; 90
7839.1Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer
Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle
Chem.Commun., 2014, 50, 1372
7111816 CIFC170 H206 Cl30 N26 O19 S2P 1 21/n 121.105; 19.2496; 25.274
90; 93.277; 90
10251.1Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer
Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle
Chem.Commun., 2014, 50, 1372
7111817 CIFC299 H277 B4 N17 O17 P8 Pt4 S4P c c n26.739; 47.581; 26.66
90; 90; 90
33919Nikolaos Karakostas; Irene M. Mavridis; Kostas Seintis; Mihalis Fakis; Eftychia N. Koini; Ioannis D. Petsalakis; George Pistolis
Highly efficient and unidirectional energy transfer within a tightly self-assembled host-guest multichromophoric array
Chem.Commun., 2014, 50, 1362
7111818 CIFC41 H34 F6 Fe N9 O6.5 S2P n a 2119.5327; 10.9126; 39.6368
90; 90; 90
8448.7Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier
Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands
Chem.Commun., 2014, 50, 1326
7111819 CIFC39 H24 F9 Fe1.5 N6 O12 S3C 1 2/c 133.061; 13.4974; 19.732
90; 95.911; 90
8758.3Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier
Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands
Chem.Commun., 2014, 50, 1326
7111820 CIFC90.21 H73.84 Cl4 Fe2 N15.97 O19.33P -110.9347; 19.6886; 22.396
110.01; 96.481; 104.184
4288.8Michael C. Young; Amber M. Johnson; Richard J. Hooley
Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates
Chem.Commun., 2014, 50, 1378
7111821 CIFC162 H132 Cl7 Fe4 N24 O34A b m 220.7761; 40.516; 41.967
90; 90; 90
35326Michael C. Young; Amber M. Johnson; Richard J. Hooley
Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates
Chem.Commun., 2014, 50, 1378
7111822 CIFC86 H110 Cl6 N8 O8 SC 1 2/c 150.553; 12.8629; 28.1196
90; 112.216; 90
16927.6Krzysztof M. Bak; Michal J. Chmielewski
Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures
Chem.Commun., 2014, 50, 1305
7111823 CIFC80 H130 Cl4 N8 O8 SC 1 2/c 126.289; 14.5923; 24.1216
90; 114.437; 90
8424.5Krzysztof M. Bak; Michal J. Chmielewski
Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures
Chem.Commun., 2014, 50, 1305
7111824 CIFC58 H82 I2 N4 O PtP 2 21 2110.6105; 13.0106; 20.7461
90; 90; 90
2863.98Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero
A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes
Chem.Commun., 2014, 50, 1299
7111825 CIFC86 H84 B F24 I2 N4 PtP 1 2/n 119.6292; 21.8184; 20.7055
90; 94.328; 90
8842.42Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero
A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes
Chem.Commun., 2014, 50, 1299
7111826 CIFC26 B F19P 1 21/c 111.04; 8.872; 23.965
90; 101.614; 90
2299.24Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111827 CIFC22 H12 F8 ZrP b c a13.7831; 13.7152; 20.0961
90; 90; 90
3798.93Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111828 CIFC30 H10 F14 ZrP 1 21/n 18.4551; 16.9172; 17.7991
90; 94.924; 90
2536.53Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111829 CIFC22 H6 F14 SnP 1 21 17.8081; 14.4792; 9.4551
90; 90.521; 90
1068.9Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111830 CIFC20 B Br F14P -19.0742; 10.2272; 10.9121
71.095; 79.247; 84.755
940.71Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111831 CIFC26 H B Cl F19P 1 21/c 111.2301; 17.6492; 15.5641
90; 126.554; 90
2478.04Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Chem.Commun., 2014, 50, 1295
7111832 CIFC18 H22 N4 O2P 1 21/n 110.4376; 8.2222; 20.993
90; 94.658; 90
1795.7Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu
A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas
Chem.Commun., 2014, 50, 1465
7111833 CIFC21 H18 Cl2 N4 O2P 1 21/c 115.245; 8.417; 16.508
90; 104.637; 90
2049.5Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu
A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas
Chem.Commun., 2014, 50, 1465
7111834 CIFC19 H22 N4 O2P 1 21/n 110.47; 13.29; 14.71
90; 105.91; 90
1968Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu
A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas
Chem.Commun., 2014, 50, 1465
7111835 CIFC24.5 H20 Cu I N4.5 O1.25C 1 2/c 126.268; 10.6462; 18.295
90; 111.641; 90
4755.6Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong
Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion
Chem.Commun., 2014, 50, 1444
7111836 CIFC46 H40 Cu2 I2 N8 O4C 1 2/c 126.195; 10.604; 18.493
90; 112.035; 90
4762Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong
Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion
Chem.Commun., 2014, 50, 1444
7111837 CIFC48 H38 Cu2 I2 N8 O3C 1 2/c 126.407; 10.549; 18.435
90; 111.635; 90
4774Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong
Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion
Chem.Commun., 2014, 50, 1444
7111838 CIFC19 H31 F6 Fe N5 O8 S2P b c a16.1902; 15.4925; 22.7717
90; 90; 90
5711.7Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander
Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation
Chem.Commun., 2014, 50, 1408
7111839 CIFC19 H27 F6 Fe N5 O6 S2P 21 21 219.7786; 15.903; 17.253
90; 90; 90
2683Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander
Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation
Chem.Commun., 2014, 50, 1408
7111840 CIFC42 H18 Cd2 N14 O2P 1 21/c 119.061; 12.717; 15.548
90; 95.24; 90
3753.1Xuan Zhang; Zhongyue Zhang; Hanhua Zhao; Jiang-Gao Mao; Kim R. Dunbar
A cadmium TCNQ-based semiconductor with versatile binding modes and non-integer redox states
Chem.Commun., 2014, 50, 1429
7111841 CIFC42 H48 Cd N10 O8P 1 21 112.329; 12.877; 14.883
90; 91.625; 90
2362Gareth O. Lloyd; Jonathan W. Steed
Supramolecular assembly in a Janus-type urea system
Chem.Commun., 2014, 50, 1426
7111842 CIFC144 H186 Cu6 N30 O36R -3 :H31.7325; 31.7325; 13.6585
90; 90; 120
11910.8Gareth O. Lloyd; Jonathan W. Steed
Supramolecular assembly in a Janus-type urea system
Chem.Commun., 2014, 50, 1426

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