Crystallography Open Database

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Searching year of publication is 2009

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1515960 CIFEu H70 Na9 O71 W10P -112.782; 13.109; 20.557
82.757; 74.773; 88.94
3296.7Yan, Yi; Li, Bao; Li, Wen; Li, Haolong; Wu, Lixin
Controllable vesicular structure and reversal of a surfactant-encapsulated polyoxometalate complex
Soft Matter, 2009, 5, 4047
1516344 CIFC32 H52 N4 O20P 21 21 214.75; 18.89; 10.333
90; 90; 90
927Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa
Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.
Biomacromolecules, 2009, 10, 1100-1105
1516345 CIFC32 H52 N4 O20P 21 21 214.715; 18.77; 10.333
90; 90; 90
914Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa
Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.
Biomacromolecules, 2009, 10, 1100-1105
1516347 CIFC9 H8 O2P 1 21/n 15.6283; 17.9569; 7.7399
90; 96.844; 90
776.67Benedict, 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, 2009, 113, 3116-3120
1516348 CIFC9 H9 N O4P 21 21 217.6786; 7.7348; 14.8561
90; 90; 90
882.34Nelyubina, 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, 2009, 113, 3615-3620
1516349 CIFC64 H76 Cl2 P4 Pd2C 1 2/c 126.721; 12.755; 21.264
90; 101.51; 90
7101.59Vitaliano, 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, 2009, 113, 14730-14740
1516350 CIFC66 H104 O2 P4 Pd2 S2P -19.847; 13.52; 15.56
94.1; 106.5; 96.2
1963Vitaliano, 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, 2009, 113, 14730-14740
1516351 CIFC28 H60 O2 P2 Pd S2P 18.538; 10.605; 11.064
67.828; 81.864; 85.056
917.8Vitaliano, 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, 2009, 113, 14730-14740
1516352 CIFC22 H27 Cl2 N3 O4P -17.9275; 11.4889; 13.693
71.003; 73.267; 82.75
1128.55Dey, 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, 2009, 113, 8626-8634
1516353 CIFC22 H27 Br2 N3 O4C 1 2/c 128.4117; 7.9256; 24.8399
90; 124.153; 90
4628.8Dey, 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, 2009, 113, 8626-8634
1516354 CIFC19 H18 Cl N5 O SP 1 21/c 17.2743; 24.0163; 11.68
90; 110.354; 90
1913.11Guo, 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, 2009, 113, 1255-1258
1516355 CIFC3 H8 N2 OP 21 21 24.979; 10.775; 4.5764
90; 90; 90
245.52Martins, 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, 2009, 113, 5998-6003
1516356 CIFC55 H49 Eu F18 O8 P2P -112.9551; 15.832; 16.3342
71.639; 70.877; 73.768
2945.6Osawa, 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, 2009, 113, 10895-10902
1516357 CIFC55 H49 Eu F18 O8 P2P 1 21/n 115.804; 20.343; 18.9226
90; 96.2858; 90
6047.1Osawa, 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, 2009, 113, 10895-10902
1516358 CIFC14 H14 N4 O6P -13.68; 7.595; 12.501
85.69; 88.01; 84.22
346.5Schmidtmann, 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, 2009, 113, 13985-13997
1516359 CIFC14 H14 N4 O6C 1 2/c 111.72; 10.014; 12.187
90; 102.7; 90
1395.3Schmidtmann, 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, 2009, 113, 13985-13997
1516360 CIFC14 H14 N4 O6P -13.6706; 7.6027; 12.478
85.523; 88.193; 84.252
345.31Schmidtmann, 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, 2009, 113, 13985-13997
1516361 CIFC14 H14 N4 O6C 1 2/c 111.668; 9.9799; 12.1407
90; 102.747; 90
1378.89Schmidtmann, 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, 2009, 113, 13985-13997
1516362 CIFC72 H128.5 Co N14 O29 PP 21 21 2115.831; 22.374; 25.304
90; 90; 90
8963Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516363 CIFC76 H132 Co N18 O30 PP 21 21 2115.12; 21.474; 27.219
90; 90; 90
8838Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516364 CIFC63 H91 Co N13 O28.25 PP 21 21 2117.3; 17.69; 32.23
90; 90; 90
9864Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516365 CIFC6 H5 N5 O6P 1 c 17.309; 5.169; 11.583
90; 95.22; 90
435.8Kohno, 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, 2009, 113, 2551-2560
1516366 CIFC8 H5 Mn O3P 1 21/n 110.7512; 6.9258; 11.6465
90; 115.794; 90
780.8Borissova, 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, 2009, 113, 10845-10851
1516367 CIFC12 H18 N4 O8P 1 21/c 17.2459; 20.9361; 9.7928
90; 97.402; 90
1473.2Naumov, 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, 2009, 113, 11354-11366
1516368 CIFC12 H18 N4 O8P 1 21/c 17.2445; 20.901; 9.7813
90; 97.413; 90
1468.7Naumov, 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, 2009, 113, 11354-11366
1516369 CIFC10 H14 N4 O6P 1 21/n 110.453; 9.464; 12.557
90; 102.551; 90
1212.5Naumov, 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, 2009, 113, 11354-11366
1516370 CIFC16 H26 N4 O6P -14.7244; 12.1071; 15.6874
84.553; 87.211; 88.585
892.01Naumov, 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, 2009, 113, 11354-11366
1516372 CIFC10 H14 N4 O6P 1 21/n 113.9814; 15.9511; 22.2275
90; 93.019; 90
4950.27Naumov, 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, 2009, 113, 11354-11366
1516373 CIFC14 H22 N4 O6P 1 21/n 18.3906; 14.517; 26.835
90; 91.427; 90
3267.7Naumov, 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, 2009, 113, 11354-11366
1516374 CIFC22 H32 N4 O6P c a 217.6093; 18.2086; 17.2841
90; 90; 90
2394.8Naumov, 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, 2009, 113, 11354-11366
1516375 CIFC14 H22 N4 O6P -14.8071; 10.6331; 16.15
80.715; 83.144; 87.224
808.5Naumov, 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, 2009, 113, 11354-11366
1516376 CIFC10 H14 N4 O6P b c a17.4174; 7.0176; 19.344
90; 90; 90
2364.39Naumov, 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, 2009, 113, 11354-11366
1516377 CIFC22 H18 N2P b c n12.7108; 7.8485; 34.116
90; 90; 90
3403.4Yang, 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, 2009, 113, 4868-4877
1516378 CIFC22 H18 N2P 1 21/n 110.0075; 28.672; 11.7698
90; 97.202; 90
3350.5Yang, 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, 2009, 113, 4868-4877
1516379 CIFC22 H18 N2P -19.2398; 9.8013; 19.7269
83.604; 87.026; 70.912
1677.5Yang, 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, 2009, 113, 4868-4877
1516380 CIFC23 H20 N2P 1 21/c 116.0282; 13.2482; 8.2983
90; 100.83; 90
1730.72Yang, 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, 2009, 113, 4868-4877
1516381 CIFC23 H18 N2P b c a15.7; 6.8425; 33.139
90; 90; 90
3560Yang, 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, 2009, 113, 4868-4877
1516382 CIFC23 H18 N2P 1 21/c 17.589; 19.3827; 11.5468
90; 94.827; 90
1692.5Yang, 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, 2009, 113, 4868-4877
1516383 CIFC19 H18 Cl2 N4P 1 21 17.6007; 7.3647; 16.11
90; 93.9836; 90
899.61Ma, 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, 2009, 113, 5066-5072
1516384 CIFC5 H6 N2 O4P 1 21/a 115.77423; 8.07596; 5.00886
90; 111.009; 90
595.671Guidoni, 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, 2009, 113, 353-359
1516385 CIFC14 H9 N O3P 1 21/c 111.4213; 12.9119; 7.4058
90; 99.8483; 90
1076.04Chen, 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, 2009, 113, 205-214
1516386 CIFC3 H5 Li O2P 1 21/c 19.609; 4.941; 8.648
90; 94.99; 90
409.03Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
The journal of physical chemistry. B, 2009, 113, 12896-12902
1516387 CIFC3 H5 Li O2P 1 21/c 19.823; 4.933; 8.812
90; 96.86; 90
423.94Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
The journal of physical chemistry. B, 2009, 113, 12896-12902
1516388 CIFC3 H5 Li O2P 1 21/c 19.646; 4.932; 8.698
90; 95.36; 90
411.99Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
The journal of physical chemistry. B, 2009, 113, 12896-12902
1516389 CIFC5 H9 Li O2P 1 21/c 114.181; 4.889; 8.63
90; 95.81; 90
595.3Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
The journal of physical chemistry. B, 2009, 113, 12896-12902
1516390 CIFC5 H9 Li O2P 1 21/c 114.358; 4.941; 8.846
90; 93.92; 90
626.1Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
The journal of physical chemistry. B, 2009, 113, 12896-12902
1516391 CIFC39 H39 N5 O6P 1 21/c 110.441; 42.197; 8.299
90; 111.46; 90
3402.9Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
Triphenylamine-based receptors in selective recognition of dicarboxylic acids.
The journal of physical chemistry. B, 2009, 113, 7800-7809
1516392 CIFC38 H35 Br Cl3 N5 O6P 1 21/n 111.886; 19.507; 16.746
90; 103.22; 90
3779.8Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
Triphenylamine-based receptors in selective recognition of dicarboxylic acids.
The journal of physical chemistry. B, 2009, 113, 7800-7809
1516393 CIFC72 H81 N3 O6P -111.39; 12.106; 24.799
103.162; 95.459; 108.054
3114.6Chinta, Jugun Prakash; Acharya, Amitabha; Kumar, Amit; Rao, Chebrolu P.
Spectroscopy and microscopy studies of the recognition of amino acids and aggregation of proteins by Zn(II) complex of lower rim naphthylidene conjugate of calix[4]arene.
The journal of physical chemistry. B, 2009, 113, 12075-12083
1516394 CIFC92 H156 Br Cl N30 O53P -114.97; 15.11; 29.968
104.6; 102.7; 90
6388Fedorova, Olga A.; Chernikova, Ekaterina Yu; Fedorov, Yuri V.; Gulakova, Elena N.; Peregudov, Aleksander S.; Lyssenko, Konstantin A.; Jonusauskas, Gediminas; Isaacs, Lyle
Cucurbit[7]uril complexes of crown-ether derived styryl and (bis)styryl dyes.
The journal of physical chemistry. B, 2009, 113, 10149-10158

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