Crystallography Open Database
Search results
Result : There are 38 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 113
| COD ID: 1516347 | |
| CIF file | Formula: - C9 H8 O2 - Comments: Benedict, Jason B.; Coppens, Philip Kinetics of the single-crystal to single-crystal two-photon photodimerization of alpha-trans-cinnamic acid to alpha-truxillic acid. The journal of physical chemistry. A 113(13) (2009) 3116-3120 Space group: P 1 21/n 1 Cell volume: 776.67 Cell parameters: 5.6283; 17.9569; 7.7399; 90; 96.844; 90; |
| COD ID: 1516348 | |
| CIF file | Formula: - C9 H9 N O4 - Comments: Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Hydrogen bonds between zwitterions: intermediate between classical and charge-assisted ones. A case study. The journal of physical chemistry. A 113(15) (2009) 3615-3620 Space group: P 21 21 21 Cell volume: 882.34 Cell parameters: 7.6786; 7.7348; 14.8561; 90; 90; 90; |
| COD ID: 1516349 | |
| CIF file | Formula: - C64 H76 Cl2 P4 Pd2 - Comments: Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A 113(52) (2009) 14730-14740 Space group: C 1 2/c 1 Cell volume: 7101.59 Cell parameters: 26.721; 12.755; 21.264; 90; 101.51; 90; |
| COD ID: 1516350 | |
| CIF file | Formula: - C66 H104 O2 P4 Pd2 S2 - Comments: Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A 113(52) (2009) 14730-14740 Space group: P -1 Cell volume: 1963 Cell parameters: 9.847; 13.52; 15.56; 94.1; 106.5; 96.2; |
| COD ID: 1516351 | |
| CIF file | Formula: - C28 H60 O2 P2 Pd S2 - Comments: Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A 113(52) (2009) 14730-14740 Space group: P 1 Cell volume: 917.8 Cell parameters: 8.538; 10.605; 11.064; 67.828; 81.864; 85.056; |
| COD ID: 1516352 | |
| CIF file | Formula: - C22 H27 Cl2 N3 O4 - Comments: Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies. The journal of physical chemistry. A 113(30) (2009) 8626-8634 Space group: P -1 Cell volume: 1128.55 Cell parameters: 7.9275; 11.4889; 13.693; 71.003; 73.267; 82.75; |
| COD ID: 1516353 | |
| CIF file | Formula: - C22 H27 Br2 N3 O4 - Comments: Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies. The journal of physical chemistry. A 113(30) (2009) 8626-8634 Space group: C 1 2/c 1 Cell volume: 4628.8 Cell parameters: 28.4117; 7.9256; 24.8399; 90; 124.153; 90; |
| COD ID: 1516354 | |
| CIF file | Formula: - C19 H18 Cl N5 O S - Comments: Guo, Jixi; Liu, Lang; Jia, Dianzeng; Wang, Junhua; Xie, Xiaolin Solid-state photochromic properties and mechanism of 1-phenyl-3-methyl-4-(3-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone. The journal of physical chemistry. A 113(7) (2009) 1255-1258 Space group: P 1 21/c 1 Cell volume: 1913.11 Cell parameters: 7.2743; 24.0163; 11.68; 90; 110.354; 90; |
| COD ID: 1516355 | |
| CIF file | Formula: - C3 H8 N2 O - Comments: Martins, David M. S.; Spanswick, Christopher K.; Middlemiss, Derek S.; Abbas, Nasir; Pulham, Colin R.; Morrison, Carole A. A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations. The journal of physical chemistry. A 113(20) (2009) 5998-6003 Space group: P 21 21 2 Cell volume: 245.52 Cell parameters: 4.979; 10.775; 4.5764; 90; 90; 90; |
| COD ID: 1516356 | |
| CIF file | Formula: - C55 H49 Eu F18 O8 P2 - Comments: Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties. The journal of physical chemistry. A 113(41) (2009) 10895-10902 Space group: P -1 Cell volume: 2945.6 Cell parameters: 12.9551; 15.832; 16.3342; 71.639; 70.877; 73.768; |
| COD ID: 1516357 | |
| CIF file | Formula: - C55 H49 Eu F18 O8 P2 - Comments: Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties. The journal of physical chemistry. A 113(41) (2009) 10895-10902 Space group: P 1 21/n 1 Cell volume: 6047.1 Cell parameters: 15.804; 20.343; 18.9226; 90; 96.2858; 90; |
| COD ID: 1516358 | |
| CIF file | Formula: - C14 H14 N4 O6 - Comments: Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A 113(50) (2009) 13985-13997 Space group: P -1 Cell volume: 346.5 Cell parameters: 3.68; 7.595; 12.501; 85.69; 88.01; 84.22; |
| COD ID: 1516359 | |
| CIF file | Formula: - C14 H14 N4 O6 - Comments: Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A 113(50) (2009) 13985-13997 Space group: C 1 2/c 1 Cell volume: 1395.3 Cell parameters: 11.72; 10.014; 12.187; 90; 102.7; 90; |
| COD ID: 1516360 | |
| CIF file | Formula: - C14 H14 N4 O6 - Comments: Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A 113(50) (2009) 13985-13997 Space group: P -1 Cell volume: 345.31 Cell parameters: 3.6706; 7.6027; 12.478; 85.523; 88.193; 84.252; |
| COD ID: 1516361 | |
| CIF file | Formula: - C14 H14 N4 O6 - Comments: Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A 113(50) (2009) 13985-13997 Space group: C 1 2/c 1 Cell volume: 1378.89 Cell parameters: 11.668; 9.9799; 12.1407; 90; 102.747; 90; |
| COD ID: 1516362 | |
| CIF file | Formula: - C72 H128.5 Co N14 O29 P - Comments: Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A 113(29) (2009) 8366-8378 Space group: P 21 21 21 Cell volume: 8963 Cell parameters: 15.831; 22.374; 25.304; 90; 90; 90; |
| COD ID: 1516363 | |
| CIF file | Formula: - C76 H132 Co N18 O30 P - Comments: Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A 113(29) (2009) 8366-8378 Space group: P 21 21 21 Cell volume: 8838 Cell parameters: 15.12; 21.474; 27.219; 90; 90; 90; |
| COD ID: 1516364 | |
| CIF file | Formula: - C63 H91 Co N13 O28.25 P - Comments: Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A 113(29) (2009) 8366-8378 Space group: P 21 21 21 Cell volume: 9864 Cell parameters: 17.3; 17.69; 32.23; 90; 90; 90; |
| COD ID: 1516365 | |
| CIF file | Formula: - C6 H5 N5 O6 - Comments: Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure. The journal of physical chemistry. A 113(11) (2009) 2551-2560 Space group: P 1 c 1 Cell volume: 435.8 Cell parameters: 7.309; 5.169; 11.583; 90; 95.22; 90; |
| COD ID: 1516366 | |
| CIF file | Formula: - C8 H5 Mn O3 - Comments: Borissova, Alexandra O.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Mutual influence of cyclopentadienyl and carbonyl ligands in cymantrene: QTAIM study. The journal of physical chemistry. A 113(40) (2009) 10845-10851 Space group: P 1 21/n 1 Cell volume: 780.8 Cell parameters: 10.7512; 6.9258; 11.6465; 90; 115.794; 90; |
| COD ID: 1516367 | |
| CIF file | Formula: - C12 H18 N4 O8 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P 1 21/c 1 Cell volume: 1473.2 Cell parameters: 7.2459; 20.9361; 9.7928; 90; 97.402; 90; |
| COD ID: 1516368 | |
| CIF file | Formula: - C12 H18 N4 O8 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P 1 21/c 1 Cell volume: 1468.7 Cell parameters: 7.2445; 20.901; 9.7813; 90; 97.413; 90; |
| COD ID: 1516369 | |
| CIF file | Formula: - C10 H14 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P 1 21/n 1 Cell volume: 1212.5 Cell parameters: 10.453; 9.464; 12.557; 90; 102.551; 90; |
| COD ID: 1516370 | |
| CIF file | Formula: - C16 H26 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P -1 Cell volume: 892.01 Cell parameters: 4.7244; 12.1071; 15.6874; 84.553; 87.211; 88.585; |
| COD ID: 1516372 | |
| CIF file | Formula: - C10 H14 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P 1 21/n 1 Cell volume: 4950.27 Cell parameters: 13.9814; 15.9511; 22.2275; 90; 93.019; 90; |
| COD ID: 1516373 | |
| CIF file | Formula: - C14 H22 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P 1 21/n 1 Cell volume: 3267.7 Cell parameters: 8.3906; 14.517; 26.835; 90; 91.427; 90; |
| COD ID: 1516374 | |
| CIF file | Formula: - C22 H32 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P c a 21 Cell volume: 2394.8 Cell parameters: 7.6093; 18.2086; 17.2841; 90; 90; 90; |
| COD ID: 1516375 | |
| CIF file | Formula: - C14 H22 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P -1 Cell volume: 808.5 Cell parameters: 4.8071; 10.6331; 16.15; 80.715; 83.144; 87.224; |
| COD ID: 1516376 | |
| CIF file | Formula: - C10 H14 N4 O6 - Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366 Space group: P b c a Cell volume: 2364.39 Cell parameters: 17.4174; 7.0176; 19.344; 90; 90; 90; |
| COD ID: 1516377 | |
| CIF file | Formula: - C22 H18 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P b c n Cell volume: 3403.4 Cell parameters: 12.7108; 7.8485; 34.116; 90; 90; 90; |
| COD ID: 1516378 | |
| CIF file | Formula: - C22 H18 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P 1 21/n 1 Cell volume: 3350.5 Cell parameters: 10.0075; 28.672; 11.7698; 90; 97.202; 90; |
| COD ID: 1516379 | |
| CIF file | Formula: - C22 H18 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P -1 Cell volume: 1677.5 Cell parameters: 9.2398; 9.8013; 19.7269; 83.604; 87.026; 70.912; |
| COD ID: 1516380 | |
| CIF file | Formula: - C23 H20 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P 1 21/c 1 Cell volume: 1730.72 Cell parameters: 16.0282; 13.2482; 8.2983; 90; 100.83; 90; |
| COD ID: 1516381 | |
| CIF file | Formula: - C23 H18 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P b c a Cell volume: 3560 Cell parameters: 15.7; 6.8425; 33.139; 90; 90; 90; |
| COD ID: 1516382 | |
| CIF file | Formula: - C23 H18 N2 - Comments: Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A 113(17) (2009) 4868-4877 Space group: P 1 21/c 1 Cell volume: 1692.5 Cell parameters: 7.589; 19.3827; 11.5468; 90; 94.827; 90; |
| COD ID: 1516383 | |
| CIF file | Formula: - C19 H18 Cl2 N4 - Comments: Ma, Yan; Hao, Rui; Shao, Guangsheng; Wang, Yuan An excellent fluorescent dye with a twistable aromatic chain and its axially chiral crystals. The journal of physical chemistry. A 113(17) (2009) 5066-5072 Space group: P 1 21 1 Cell volume: 899.61 Cell parameters: 7.6007; 7.3647; 16.11; 90; 93.9836; 90; |
| COD ID: 1516384 | |
| CIF file | Formula: - C5 H6 N2 O4 - Comments: Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate. The journal of physical chemistry. A 113(1) (2009) 353-359 Space group: P 1 21/a 1 Cell volume: 595.671 Cell parameters: 15.77423; 8.07596; 5.00886; 90; 111.009; 90; |
| COD ID: 1516385 | |
| CIF file | Formula: - C14 H9 N O3 - Comments: Chen, Chyi-Lin; Lin, Chun-Wei; Hsieh, Cheng-Chih; Lai, Chin-Hung; Lee, Gene-Hsiang; Wang, Chih-Chieh; Chou, Pi-Tai Dual excited-state intramolecular proton transfer reaction in 3-hydroxy-2-(pyridin-2-yl)-4H-chromen-4-one. The journal of physical chemistry. A 113(1) (2009) 205-214 Space group: P 1 21/c 1 Cell volume: 1076.04 Cell parameters: 11.4213; 12.9119; 7.4058; 90; 99.8483; 90; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!