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 Blue up arrow Space group Up arrow Cell parameters Cell volume 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
1514181 CIFC120 H216 Au36 S24P 1 21/n 118.5437; 29.3874; 32.6577
90; 96.612; 90		17678.5Das, Anindita; Liu, Chong; Zeng, Chenjie; Li, Gao; Li, Tao; Rosi, Nathaniel L.; Jin, Rongchao
Cyclopentanethiolato-Protected Au36(SC5H9)24 Nanocluster: Crystal Structure and Implications for the Steric and Electronic Effects of Ligand.
The journal of physical chemistry. A, 2014, 118, 8264-8269
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
1516702 CIFC16 H17 N O4C 1 2/c 110.4651; 12.0555; 22.0874
90; 91.79; 90		2785.23Mukhina, 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
1517954 CIFC16 H31 Cs O14 U2P 1 21/c 115.2874; 21.91635; 8.41473
90; 88.9643; 90		2818.8Vologzhanina, Anna V.; Savchenkov, Anton V.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Bushmarinov, Ivan S.; Pushkin, Denis V.; Serezhkina, Larisa B.
Electronic Structure of Cesium Butyratouranylate(VI) as Derived from DFT-assisted Powder X-ray Diffraction Data.
The journal of physical chemistry. A, 2014, 118, 9745-9752
1556096 CIFC17 H32 N2 O5P 2 21 2110.1695; 17.5711; 12.1157
90; 90; 90		2164.95Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.
Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.
The journal of physical chemistry. A, 2014, 118, 9568-9574
1556097 CIFC17 H32 N2 O5P 1 21 19.8681; 17.5; 12.2922
90; 102.706; 90		2070.8Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.
Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.
The journal of physical chemistry. A, 2014, 118, 9568-9574
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
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
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
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
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
1513343 CIFC28 H21 F6 N SC 1 2 122.064; 10.5914; 22.751
90; 118.669; 90		4664.9Hirose, 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
1515993 CIFC29 H20 OI 1 2/a 124.2504; 8.1885; 21.5299
90; 110.491; 90		4004.78Pal, 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
1517806 CIFC34 H46 Cl2 N10 O2 PtP b c a10.5253; 17.2681; 20.8581
90; 90; 90		3791Gushchin, 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
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
1517807 CIFC36 H50 Cl2 N10 O2 PtP b c a10.4214; 17.7041; 21.4018
90; 90; 90		3948.66Gushchin, 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

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.