Crystallography Open Database
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Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 118
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1513343 | CIF | C28 H21 F6 N S | C 1 2 1 | 22.064; 10.5914; 22.751 90; 118.669; 90 | 4664.9 | Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer. The journal of physical chemistry. A, 2014, 118, 1084-1093 |
1516702 | CIF | C16 H17 N O4 | C 1 2/c 1 | 10.4651; 12.0555; 22.0874 90; 91.79; 90 | 2785.23 | Mukhina, Olga A.; Cronk, W. Cole; Kumar, N. N. Bhuvan; Sekhar, M. Chandra; Samanta, Anunay; Kutateladze, Andrei G. Intramolecular cycloadditions of photogenerated azaxylylenes: an experimental and theoretical study. The journal of physical chemistry. A, 2014, 118, 10487-10496 |
1517276 | CIF | C96 H80 N12 O4 Rh2 | F d d d :2 | 15.689; 30.833; 33.866 90; 90; 90 | 16382 | Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A, 2014, 118, 10340-10352 |
1515993 | CIF | C29 H20 O | I 1 2/a 1 | 24.2504; 8.1885; 21.5299 90; 110.491; 90 | 4004.78 | Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N. Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones. The journal of physical chemistry. A, 2014, 118, 3479-3489 |
1517273 | CIF | C82.5 H63 Br3 Cl3 N9 Rh2 | I 4 | 14.7855; 14.7855; 17.6398 90; 90; 90 | 3856.3 | Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A, 2014, 118, 10340-10352 |
1513344 | CIF | C37 H46 N2 O2 | P -1 | 9.4723; 13.8209; 14.2201 116.052; 97.4525; 101.172 | 1591.32 | Yamashita, 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 |
1513345 | CIF | C39 H52 N2 O3 S | P -1 | 9.5672; 13.359; 15.03 93.77; 105.796; 90.872 | 1843.3 | Yamashita, 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 |
1513347 | CIF | C48 H33 N5 | P -1 | 9.512; 11.533; 16.99 96.062; 94.541; 104.431 | 1784.1 | Yamaguchi, 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 |
1513349 | CIF | C46 H30 N4 | P -1 | 9.72; 11.606; 15.241 82.64; 87.985; 75.216 | 1648.7 | Yamaguchi, 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 | CIF | C38 H58 Fe P2 | P -1 | 11.9515; 12.1683; 14.2621 110.684; 97.566; 114.389 | 1670.91 | Wiegand, 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 |
1514263 | CIF | C24 H12 N2 S2 | P -1 | 8.569; 9.647; 13.03 69.226; 72.615; 79.106 | 956.9 | Shi, 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 |
1516625 | CIF | C64 H56 Cl6 N14 O4 | P -1 | 8.1267; 12.3186; 15.8366 93.4245; 100.543; 92.7206 | 1553.09 | Muranaka, 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 |
1517274 | CIF | C88.5 H66.5 Br2 Cl7.5 N10 Rh2 | P -1 | 13.6685; 17.3026; 19.4769 73.857; 74.732; 79.393 | 4237.9 | Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A, 2014, 118, 10340-10352 |
1517275 | CIF | C96 H84 Br2 N10 O5 Rh2 | P -1 | 13.0797; 14.1503; 25.3837 88.073; 75.83; 72.655 | 4344 | Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A, 2014, 118, 10340-10352 |
1517792 | CIF | C14 H16 F N O4 | P -1 | 8.7649; 8.7954; 9.0065 90.566; 95.61; 100.043 | 680.15 | Dorotíková, 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 |
1517793 | CIF | C12 H12 F N O2 | P -1 | 6.1162; 9.6371; 10.2412 108.298; 98.083; 100.432 | 550.9 | Dorotíková, 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 | CIF | C12 H12 F N O4 | P -1 | 7.1117; 7.1194; 12.015 74.345; 85.823; 79.083 | 575.01 | Dorotíková, 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 |
1517808 | CIF | C38 H54 Cl2 N10 O2 Pt | P -1 | 10.03; 10.1874; 10.6219 91.285; 106.122; 102.222 | 1015.21 | Gushchin, 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 | CIF | C40 H54 Br2 N10 O2 Pt | P -1 | 8.947; 10.8626; 11.7344 94.084; 109.329; 104.174 | 1028.84 | Gushchin, 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 |
1514123 | CIF | C38 H58 Fe P2 | P 1 21 1 | 13.1315; 9.8741; 13.7239 90; 103.615; 90 | 1729.46 | Wiegand, 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 |
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