Crystallography Open Database

Result: there are 42 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 118

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Blue up arrow Bibliography
1517793 CIFC12 H12 F N O2P -16.1162; 9.6371; 10.2412
108.298; 98.083; 100.432		550.9Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana
Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.
The journal of physical chemistry. A, 2014, 118, 9540-9551
1517794 CIFC12 H12 F N O4P -17.1117; 7.1194; 12.015
74.345; 85.823; 79.083		575.01Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana
Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.
The journal of physical chemistry. A, 2014, 118, 9540-9551
1517792 CIFC14 H16 F N O4P -18.7649; 8.7954; 9.0065
90.566; 95.61; 100.043		680.15Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana
Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.
The journal of physical chemistry. A, 2014, 118, 9540-9551
1517658 CIFC23 H25 N O2P 1 21 19.9205; 8.8195; 11.1609
90; 105.611; 90		940.49Iyer, Akila; Jockusch, Steffen; Sivaguru, J.
Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.
The journal of physical chemistry. A, 2014, 118, 10596-10602
1517657 CIFC23 H25 N O2P 1 21 19.9249; 8.819; 11.1611
90; 105.551; 90		941.14Iyer, Akila; Jockusch, Steffen; Sivaguru, J.
Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.
The journal of physical chemistry. A, 2014, 118, 10596-10602
1514263 CIFC24 H12 N2 S2P -18.569; 9.647; 13.03
69.226; 72.615; 79.106		956.9Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua
Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.
The journal of physical chemistry. A, 2014, 118, 7844
1517808 CIFC38 H54 Cl2 N10 O2 PtP -110.03; 10.1874; 10.6219
91.285; 106.122; 102.222		1015.21Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu
Anionic halide···alcohol clusters in the solid state.
The journal of physical chemistry. A, 2014, 118, 9529-9539
1517811 CIFC40 H54 Br2 N10 O2 PtP -18.947; 10.8626; 11.7344
94.084; 109.329; 104.174		1028.84Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu
Anionic halide···alcohol clusters in the solid state.
The journal of physical chemistry. A, 2014, 118, 9529-9539
1513341 CIFC18 H43 Cl2 Ir P2P 1 21/c 18.0646; 8.9616; 16.2738
90; 92.672; 90		1174.86Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1513342 CIFC18 H43 Cl2 P2 RhP 1 21/c 18.0734; 8.9633; 16.266
90; 92.5754; 90		1175.89Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1517659 CIFC19 H17 N O2P 21 21 215.6485; 11.8378; 21.6295
90; 90; 90		1446.27Iyer, Akila; Jockusch, Steffen; Sivaguru, J.
Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.
The journal of physical chemistry. A, 2014, 118, 10596-10602
1516626 CIFC36 H38 N8P 1 21/n 115.3095; 5.0915; 20.1111
90; 109.532; 90		1477.41Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu
Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.
The journal of physical chemistry. A, 2014, 118, 4415-4424
1516625 CIFC64 H56 Cl6 N14 O4P -18.1267; 12.3186; 15.8366
93.4245; 100.543; 92.7206		1553.09Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu
Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.
The journal of physical chemistry. A, 2014, 118, 4415-4424
1513344 CIFC37 H46 N2 O2P -19.4723; 13.8209; 14.2201
116.052; 97.4525; 101.172		1591.32Yamashita, Hiroaki; Abe, Jiro
Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.
The journal of physical chemistry. A, 2014, 118, 1430-1438
1514124 CIFC38 H46 Fe P2P 1 21 113.2558; 9.2386; 13.4456
90; 99.992; 90		1621.64Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514264 CIFC21 H12 O S2P 1 21/c 19.4678; 20.285; 9.5649
90; 116.62; 90		1642.3Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua
Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.
The journal of physical chemistry. A, 2014, 118, 7844
1513349 CIFC46 H30 N4P -19.72; 11.606; 15.241
82.64; 87.985; 75.216		1648.7Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134
1514126 CIFC38 H58 Fe P2P -111.9515; 12.1683; 14.2621
110.684; 97.566; 114.389		1670.91Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514123 CIFC38 H58 Fe P2P 1 21 113.1315; 9.8741; 13.7239
90; 103.615; 90		1729.46Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1513347 CIFC48 H33 N5P -19.512; 11.533; 16.99
96.062; 94.541; 104.431		1784.1Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.