Crystallography Open Database

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1505653 CIFC44 H36 S2 Si2P -18.861; 9.632; 11.954
83.02; 79.53; 71.495
949.2Murai, Toshiaki; Fukushima, Kozue; Mutoh, Yuichiro
Synthesis and properties of 1-methylthiopropargylammonium salts and their use as key precursors to sulfur-containing enediynes.
Organic letters, 2007, 9, 5295-5298
1505654 CIFC16 H17 N O3P 1 21/c 18.9486; 13.132; 12.841
90; 109.123; 90
1425.7Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya
Redox-induced conformational alteration of n,n-diarylamides.
Organic letters, 2007, 9, 5545-5547
1505655 CIFC14 H13 N O3P 21 21 216.3427; 11.2959; 16.3905
90; 90; 90
1174.32Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya
Redox-induced conformational alteration of n,n-diarylamides.
Organic letters, 2007, 9, 5545-5547
1505656 CIFC14 H11 N O3P 21 21 2111.58; 15.72; 6.701
90; 90; 90
1220Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya
Redox-induced conformational alteration of n,n-diarylamides.
Organic letters, 2007, 9, 5545-5547
1505657 CIFC37 H52 F6 N O9 PP -111.775; 14.08; 14.801
117.56; 109.34; 92.84
1991.5Zhang, Chuanju; Li, Shijun; Zhang, Jinqiang; Zhu, Kelong; Li, Ning; Huang, Feihe
Benzo-21-crown-7/secondary dialkylammonium salt [2]pseudorotaxane- and [2]rotaxane-type threaded structures.
Organic letters, 2007, 9, 5553-5556
1505658 CIFC32 H28 Fe N3 PP 21 21 2111.978; 14.62; 14.881
90; 90; 90
2606Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi
ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
Organic letters, 2007, 9, 5557-5560
1505659 CIFC32 H28 Fe N3 PP 21 21 2110.135; 10.972; 23.73
90; 90; 90
2639Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi
ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
Organic letters, 2007, 9, 5557-5560
1505660 CIFC45 H37 Fe N3 P2P 1 21 113.618; 10.383; 13.95
90; 116.34; 90
1768Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi
ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
Organic letters, 2007, 9, 5557-5560
1505661 CIFC27 H18 Cl NP 21 21 215.881; 9.0184; 36.938
90; 90; 90
1959.1Matsuzawa, Hiroshi; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Remarkable effect of N-substituent on enantioselective ruthenium-catalyzed propargylation of indoles with propargylic alcohols.
Organic letters, 2007, 9, 5561-5564
1505662 CIFC19 H29 N3 O7 SiP 1 21 113.1833; 6.6134; 13.7973
90; 109.32; 90
1135.19Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew
A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.
Organic letters, 2007, 9, 5565-5568
1505663 CIFC14 H25 N O5 SiP 1 21 110.726; 8.1169; 11.027
90; 115.27; 90
868.16Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew
A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.
Organic letters, 2007, 9, 5565-5568
1505664 CIFC27 H24 O6 SP 1 21 19.3539; 8.0181; 31.277
90; 97.27; 90
2326.9Lu, Ping; Ma, Shengming
Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
Organic letters, 2007, 9, 5319-5321
1505665 CIFC30 H28 O4 S2P 1 21/c 113.4994; 21.855; 8.6424
90; 91.605; 90
2548.8Lu, Ping; Ma, Shengming
Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
Organic letters, 2007, 9, 5319-5321
1505666 CIFC40 H35 N O6 S2P 1 21/c 116.4936; 9.15; 23.709
90; 109.587; 90
3371Lu, Ping; Ma, Shengming
Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
Organic letters, 2007, 9, 5319-5321
1505667 CIFC36.5 H41 Cl O10 S2P -114.74; 16.07; 16.6
80.43; 73.17; 71.15
3550Lu, Ping; Ma, Shengming
Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
Organic letters, 2007, 9, 5319-5321
1505668 CIFC22 H17 F4 N3 O5 SP -18.2971; 9.7116; 14.452
81; 81.81; 66.27
1048.9Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.
Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone
Organic Process Research & Development, 2007, 11, 389
1505669 CIFC18 H12 F8 N2 O7 SP -18.6649; 9.1625; 14.151
79.77; 74.02; 74.16
1032.7Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.
Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone
Organic Process Research & Development, 2007, 11, 389
1505670 CIFC17 H17 F2 N O6 SP 1 21/c 124.528; 7.134; 21.125
90; 114.89; 90
3353.2Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.
Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone
Organic Process Research & Development, 2007, 11, 389
1505671 CIFC16 H15 F2 N O4 SP -18.8361; 9.6639; 10.439
101.76; 99.69; 113.51
768.7Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.
Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone
Organic Process Research & Development, 2007, 11, 389
1505672 CIFC16 H29 Cl N4 O4I 41/a :230.683; 30.683; 8.352
90; 90; 90
7863Barkalow, Jufang H.; Breting, Jeffrey; Gaede, Bruce J.; Haight, Anthony R.; Henry, Rodger; Kotecki, Brian; Mei, Jianzhang; Pearl, Kurt B.; Tedrow, Jason S.; Viswanath, Shekhar K.
Process Development for ABT-472, a Benzimidazole PARP Inhibitor
Organic Process Research & Development, 2007, 11, 693
1505673 CIFC69 H71 N2 O11 S2P 1 21 117.36; 9.944; 18.696
90; 108.13; 90
3067.2Deng, Xiaohu; Liang, Jimmy T.; Liu, Jing; McAllister, Heather; Schubert, Carsten; Mani, Neelakandha S.
A Practical Synthesis of Enantiopure 7-Alkoxy-4-aryl-tetrahydroisoquinoline, a Dual Serotonin Reuptake Inhibitor/Histamine H3Antagonist
Organic Process Research & Development, 2007, 11, 1043
1505674 CIFC17 H21 N O6P 14.95; 5.1931; 33.2
91.997; 92.826; 90.042
851.9Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus
Functional lactide monomers: methodology and polymerization.
Biomacromolecules, 2006, 7, 1735-1742
1505675 CIFC13 H14 O5P 1 21 18.9778; 5.9703; 12.6038
90; 107.981; 90
642.57Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus
Functional lactide monomers: methodology and polymerization.
Biomacromolecules, 2006, 7, 1735-1742
1505676 CIFC10 H8 N2 O4P 1 21/c 14.945; 10.887; 18.475
90; 96.32; 90
988.6Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari
Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines
Journal of Combinatorial Chemistry, 2006, 8, 344
1505677 CIFC14 H12 N2P 21 21 215.888; 10.699; 17.013
90; 90; 90
1071.7Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari
Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines
Journal of Combinatorial Chemistry, 2006, 8, 344
1505678 CIFC21 H16 F N3 O2P 1 21/c 111.654; 5.471; 26.609
90; 102.416; 90
1656.9Nie, Aihua; Huang, Ziwei
Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives
Journal of Combinatorial Chemistry, 2006, 8, 655
1505679 CIFC21 H16 F N3 O2P 1 n 19.705; 5.644; 15.603
90; 98.293; 90
845.72Nie, Aihua; Huang, Ziwei
Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives
Journal of Combinatorial Chemistry, 2006, 8, 655
1505680 CIFC23 H30 O7P 1 21 18.8996; 12.0769; 10.5206
90; 90.695; 90
1130.67Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.
Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
Journal of medicinal chemistry, 2006, 49, 2174-2185
1505681 CIFC45 H58 Br2 N2 O15P 21 21 2111.054; 20.276; 21.194
90; 90; 90
4750Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.
Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.
Journal of medicinal chemistry, 2006, 49, 1891-1899
1505682 CIFC27 H25 Au N O5 P SP -110.218; 12.489; 12.62
106.208; 112.512; 104.97
1302Gunatilleke, Shamila S.; Barrios, Amy M.
Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.
Journal of medicinal chemistry, 2006, 49, 3933-3937
1505683 CIFC18 H28 Cl2 N4 O RuP -17.8903; 9.5995; 14.1039
78.964; 87.859; 86.905
1046.59Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505684 CIFC24 H38 Cl2 N4 RuP -18.563; 13.044; 13.243
110.87; 98.93; 95.91
1345.2Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505685 CIFC18 H24 B2 F8 N6 RuP 1 21/c 18.4268; 13.5307; 19.9593
90; 91.305; 90
2275.2Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505686 CIFC34 H52 Cl4 N4 Ru2P -112.4321; 12.9605; 13.0867
90.149; 117.791; 90.948
1865Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505687 CIFC36 H34 B Cl N4 RuP 1 21/n 113.3895; 12.5339; 18.671
90; 104.039; 90
3039.8Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505688 CIFC91 H130 Cl2 N6 O6 Zn2P 1 21/c 117.4953; 17.5283; 30.01
90; 96.766; 90
9138.9Görner, Helmut; Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni
Photoinduced intramolecular proton transfer of phenol-containing ligands and their zinc complexes.
The journal of physical chemistry. A, 2006, 110, 2587-2594
1505689 CIFC8 H12 Cl N3P 1 21/c 18.745; 10.993; 10.41
90; 102.383; 90
977.5Saha, Satyen; Hamaguchi, Hiro-o
Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.
The journal of physical chemistry. B, 2006, 110, 2777-2781
1505690 CIFC8 H14 Cl N3 OP 1 21/n 17.216; 13.874; 10.896
90; 99.055; 90
1077.3Saha, Satyen; Hamaguchi, Hiro-o
Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.
The journal of physical chemistry. B, 2006, 110, 2777-2781
1505691 CIFC8 H12 I N3P -17.866; 7.928; 9.05
87.38; 87.004; 75.926
546.4Saha, Satyen; Hamaguchi, Hiro-o
Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.
The journal of physical chemistry. B, 2006, 110, 2777-2781
1505692 CIFC64 H67 N6 O25.5 S4P 1 21/n 114.257; 38.099; 16.146
90; 105.981; 90
8431Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Ma, Yu-Hong; Yang, En-Cui
The structure and thermodynamics of calix[n]arene complexes with dipyridines and phenanthroline in aqueous solution studied by microcalorimetry and NMR spectroscopy.
The journal of physical chemistry. B, 2006, 110, 3428-3434
1505693 CIFAl2.75 Na2.59 O12 Si3.25F d -3 :225.09153; 25.09153; 25.09153
90; 90; 90
15797.2Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd
Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.
The journal of physical chemistry. B, 2006, 110, 342-353
1505694 CIFAl0.92 D0.38 Na0.91 O4.19 Si1.08F d -3 :225.10741; 25.10741; 25.10741
90; 90; 90
15827.3Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd
Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.
The journal of physical chemistry. B, 2006, 110, 342-353
1505695 CIFAl0.92 D0.89 Na0.84 O4.45 Si1.08F d -3 :225.10442; 25.10442; 25.10442
90; 90; 90
15821.6Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd
Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.
The journal of physical chemistry. B, 2006, 110, 342-353
1505696 CIFAl2.75 D4.1 Na2.92 O14.05 Si3.25F d -3 :225.05049; 25.05049; 25.05049
90; 90; 90
15719.9Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd
Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.
The journal of physical chemistry. B, 2006, 110, 342-353
1505697 CIFF1.28 O48 Si24C 2 2 2112.905; 21.344; 5.1279
90; 90; 90
1412.5Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I.
Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55.
The journal of physical chemistry. B, 2006, 110, 5273-5278
1505698 CIFC69 H78 B2 Cl2 F4 N10 O10 ZnP -19.376; 18.932; 20.837
96.88; 101.14; 104.49
3458Harriman, Anthony; Rostron, James P.; Cesario, Michèle; Ulrich, Gilles; Ziessel, Raymond
Electron transfer in self-assembled orthogonal structures.
The journal of physical chemistry. A, 2006, 110, 7994-8002
1505699 CIFC5 H6 N2 OC 1 2/c 114.138; 5.0768; 14.813
90; 99.545; 90
1048.5Grabowski, Sławomir J; Dubis, Alina T.; Palusiak, Marcin; Leszczynski, Jerzy
Heteronuclear intermolecular resonance-assisted hydrogen bonds. The structure of pyrrole-2-carboxamide (PyCa).
The journal of physical chemistry. B, 2006, 110, 5875-5882
1505700 CIFC22 H32 Li Ni O8 S10P -112.12; 20.95; 27.35
90.87; 91.28; 103.59
6747Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505701 CIFC22 H32 Na Ni O8 S10C 1 2/c 130.03; 11.327; 10.357
90; 106.47; 90
3378Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505702 CIFC22 H32 Na Ni O8 S10C 1 2/m 110.477; 11.588; 14.498
90; 92.58; 90
1758Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505703 CIFC22 H32 K Ni O8 S10C 1 2/c 129.872; 11.268; 10.309
90; 106.376; 90
3329Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505704 CIFC22 H32 K Ni O8 S10C 1 2/m 110.472; 11.584; 14.494
90; 92.61; 90
1756Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505705 CIFC22 H32 Ni O8 Rb S10C 1 2/c 130.614; 11.144; 10.275
90; 106.24; 90
3366Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505706 CIFC22 H32 Ni O8 Rb S10C 1 2/c 131.19; 11.346; 10.41
90; 107.04; 90
3522Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi
Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.
The journal of physical chemistry. B, 2006, 110, 5897-5904
1505707 CIFC20 H11 N6 Ni O2 S4P 1 21/c 112.196; 26.506; 7.2171
90; 102.83; 90
2274.8Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505708 CIFC20 H11 Au0.01 N6 Ni0.99 O2 S4P 1 21/c 112.176; 26.492; 7.2027
90; 102.82; 90
2265.4Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505709 CIFC20 H11 Au0.04 N6 Ni0.96 O2 S4P 1 21/c 112.152; 26.427; 7.1924
90; 102.85; 90
2251.9Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505710 CIFC20 H11 Au0.11 N6 Ni0.89 O2 S4P 1 21/c 112.188; 26.503; 7.215
90; 102.93; 90
2271.5Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505711 CIFC20 H11 Au0.21 N6 Ni0.79 O2 S4P 1 21/c 112.194; 26.577; 7.226
90; 102.98; 90
2282Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505712 CIFC20 H11 Au0.27 N6 Ni0.73 O2 S4P 1 21/c 112.191; 26.626; 7.2551
90; 103.02; 90
2294.4Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505713 CIFC20 H11 Au0.35 N6 Ni0.65 O2 S4P 1 21/c 112.2; 26.524; 7.2281
90; 103.03; 90
2278.7Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505714 CIFC20 H11 Au0.41 N6 Ni0.59 O2 S4P 1 21/c 112.15; 26.553; 7.2316
90; 103.14; 90
2272Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505715 CIFC20 H11 Au0.49 N6 Ni0.51 O2 S4P 1 21/c 112.176; 26.582; 7.2458
90; 103.15; 90
2283.7Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505716 CIFC20 H11 Au0.57 N6 Ni0.43 O2 S4P 1 21/c 112.191; 26.626; 7.2551
90; 103.22; 90
2292.6Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505717 CIFC20 H11 Au0.73 N6 Ni0.27 O2 S4P 1 21/c 112.203; 26.67; 7.2823
90; 103.4; 90
2305.5Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505718 CIFC20 H11 Au N6 O2 S4P 1 21/c 112.237; 26.762; 7.3168
90; 103.6; 90
2329Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505719 CIFC20 H11 Au0.35 N6 Ni0.65 O2 S4P 1 21/c 112.045; 26.43; 7.1337
90; 101.88; 90
2222.4Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505720 CIFC20 H11 Au0.49 N6 Ni0.51 O2 S4P 1 21/c 112.061; 26.487; 7.1393
90; 102.01; 90
2230.8Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505721 CIFC20 H11 Au0.27 N6 Ni0.73 O2 S4P -17.072; 11.974; 26.325
89.419; 88.557; 78.817
2186Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.
Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.
The journal of physical chemistry. B, 2006, 110, 7671-7677
1505722 CIFC36 H49 Cl N12 Ni2 O6P b n a16.345; 17.334; 14.973
90; 90; 90
4242.2Sarkar, Sumana; Datta, Ayan; Mondal, Amrita; Chopra, Deepak; Ribas, Joan; Rajak, Kajal Krishna; Sairam S M, Sairam; Pati, Swapan K.
Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand.
The journal of physical chemistry. B, 2006, 110, 12-15
1505723 CIFC4 H3 Cl O4P 1 21/c 17.558; 4.9822; 16.015
90; 92.395; 90
602.5Wong, Alan; Pike, Kevin J.; Jenkins, Rob; Clarkson, Guy J.; Anupõld, Tiit; Howes, Andrew P.; Crout, David H. G.; Samoson, Ago; Dupree, Ray; Smith, Mark E.
Experimental and theoretical 17O NMR study of the influence of hydrogen-bonding on C=O and O-H oxygens in carboxylic solids.
The journal of physical chemistry. A, 2006, 110, 1824-1835
1505724 CIFC25 H38 N5 S6 YbP 1 21/c 117.4135; 10.5109; 17.2309
90; 96.324; 90
3134.6Liu, G. K.; Jensen, M. P.; Almond, P. M.
Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides.
The journal of physical chemistry. A, 2006, 110, 2081-2088
1505725 CIFC29 H29 F18 N4 Ni1.5 O11P -18.7852; 14.581; 17.7406
73.052; 86.854; 69.249
2029.83Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment.
The journal of physical chemistry. B, 2006, 110, 2102-2107
1505726 CIFC24 H16P 1 21/n 17.827; 4.8647; 20.2212
90; 92.791; 90
769.03Santos, Rui C.; Bernardes, Carlos E. S.; Diogo, Hermínio P; Piedade, M Fátima M; Canongia Lopes, José N; Minas da Piedade, Manuel E.
Energetics of the thermal dimerization of acenaphthylene to heptacyclene.
The journal of physical chemistry. A, 2006, 110, 2299-2307
1505727 CIFB F4 LiP 31 2 14.892; 4.892; 11.002
90; 90; 120
228Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris
Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4.
The journal of physical chemistry. B, 2006, 110, 2138-2141
1505728 CIFC16 H16 Co2 N8 O4 S4P 1 21/c 15.7128; 14.346; 6.9722
90; 97.468; 90
566.6Shi, Jing-Min; Sun, You-Min; Zhang, Xia; Yi, Long; Cheng, Peng; Liu, Lian-Dong
Magnetic study on a two-dimensional coordination polymer with mixed bridging ligands.
The journal of physical chemistry. A, 2006, 110, 7677-7681
1505729 CIFC15 H9 F3P 1 21/c 111.1557; 12.5428; 8.0282
90; 97.45; 90
1113.85Wang, Xianlong; Mallory, Frank B.; Mallory, Clelia W.; Beckmann, Peter A.; Rheingold, Arnold L.; Francl, Michelle M.
CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations.
The journal of physical chemistry. A, 2006, 110, 3954-3960
1505730 CIFC30 H32 S11C 1 2/c 120.392; 41.473; 8.0801
90; 90.08; 90
6833.5Berridge, Rory; Skabara, Peter J.; Pozo-Gonzalo, Cristina; Kanibolotsky, Alexander; Lohr, Jan; McDouall, Joseph J. W.; McInnes, Eric J. L.; Wolowska, Joanna; Winder, Christoph; Sariciftci, N. Serdar; Harrington, Ross W.; Clegg, William
Incorporation of fused tetrathiafulvalenes (TTFs) into polythiophene architectures: varying the electroactive dominance of the TTF species in hybrid systems.
The journal of physical chemistry. B, 2006, 110, 3140-3152
1505731 CIFC10 H36 Cl3 O13 YP 1 21/n 19.1848; 17.229; 15.299
90; 92.8; 90
2418.1Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Eichhöfer, Andreas; Fanghänel, Thomas
Large ground-state and excited-state crystal field splitting of 8-fold-coordinate Cm3+ in [Y(H2O)8]Cl3.15-crown-5.
The journal of physical chemistry. B, 2006, 110, 5279-5285
1505732 CIFC43 H43 F4 Ir N5 O3 PP 1 21/n 113.41; 14.547; 21.17
90; 103.798; 90
4010.6Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon
Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.
The journal of physical chemistry. B, 2006, 110, 10303-10314
1505733 CIFC44 H41 F4 Ir N3 O5 PP -19.707; 10.2082; 19.8603
86.894; 88.988; 88.887
1964.4Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon
Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.
The journal of physical chemistry. B, 2006, 110, 10303-10314
1505734 CIFC12 H12 CrP a -39.5714; 9.5714; 9.5714
90; 90; 90
876.85Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu
Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.
The journal of physical chemistry. A, 2006, 110, 6545-6551
1505735 CIFC34 H24 N2 O4 S6C 1 2/c 133.46; 8.032; 48.84
90; 103.43; 90
12767Jousselme, Bruno; Blanchard, Philippe; Allain, Magali; Levillain, Eric; Dias, Marylène; Roncali, Jean
Structural control of the electronic properties of photodynamic azobenzene-derivatized pi-conjugated oligothiophenes.
The journal of physical chemistry. A, 2006, 110, 3488-3494
1505736 CIFC4 H14 Cl5 N2 SbP 1 21/c 112.3542; 10.1592; 10.198
90; 96.839; 90
1270.83Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505737 CIFC4 H14 Cl5 N2 SbP 1 21/c 112.366; 10.1778; 10.2219
90; 97.066; 90
1276.74Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505738 CIFC4 H14 Cl5 N2 SbP 1 21/c 112.484; 10.265; 10.3502
90; 97.785; 90
1314.1Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505739 CIFC4 H14 Cl5 N2 SbP 1 21/c 112.2733; 10.1433; 10.081
90; 96.782; 90
1246.22Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505740 CIFC8 H28 Cl10 N4 Sb2P 1 21/n 124.649; 10.0612; 10.121
90; 107.349; 90
2395.8Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505741 CIFC8 H28 Cl10 N4 Sb2P 1 21/n 124.3137; 9.9272; 9.9246
90; 107.205; 90
2288.3Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505742 CIFC8 H28 Cl10 N4 Sb2P 1 21/n 124.0842; 9.797; 9.767
90; 107.171; 90
2201.8Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505743 CIFC8 H28 Cl10 N4 Sb2P 1 21/n 123.969; 9.7129; 9.6721
90; 107.183; 90
2151.2Bujak, Maciej; Angel, Ross J.
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The journal of physical chemistry. B, 2006, 110, 10322-10331
1505744 CIFBa0.5 Bi6 Mo2.5 O17P 1 2/c 111.6887; 5.8139; 24.7151
90; 101.838; 90
1643.84Muktha, B.; Aarthi, T.; Madras, Giridhar; Guru Row, T. N.
Substitution effect on the photocatalytic degradation by the series AxBi26-xMo10O68+0.5y (A = Ba, y = 0; A = Bi, La, y = 2): a kinetic study.
The journal of physical chemistry. B, 2006, 110, 10280-10286
1505745 CIFC14 H28 Cs Li N2 O4C 1 2/m 123.748; 13.434; 8.212
90; 75.34; 90
2535Ichimura, Andrew S.; Huang, Rui H.; Xie, Qingshan; Morganelli, Philip; Burns, Amy; Dye, James L.
One-dimensional zigzag chains of Cs-: the structures and properties of Li+ (cryptand[2.1.1])Cs- and Cs+ (cryptand[2.2.2])Cs-.
The journal of physical chemistry. B, 2006, 110, 12293-12301
1505746 CIFC39.5 H25.5 Mg N9.5 OP -18.823; 13.007; 14.424
81.912; 80.385; 74.07
1561.5Wong, Alan; Ida, Ramsey; Mo, Xin; Gan, Zhehong; Poh, Jennifer; Wu, Gang
Solid-state 25Mg NMR spectroscopic and computational studies of organic compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a.
The journal of physical chemistry. A, 2006, 110, 10084-10090
1505747 CIFC89 H8 Sc3P 1 21/m 118.1948; 11.14953; 11.13725
90; 107.733; 90
2151.99Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori
High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction.
The journal of physical chemistry. B, 2006, 110, 19215-19219
1505748 CIFC22 H27 Cu N O2P 1 21/n 110.3633; 14.4094; 13.5082
90; 107.873; 90
1919.8Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun
Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.
The journal of physical chemistry. B, 2006, 110, 21365-21370
1505749 CIFC19 H26 Cu N O3.5C 1 2/c 118.972; 14.075; 15.806
90; 114.051; 90
3854.3Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun
Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.
The journal of physical chemistry. B, 2006, 110, 21365-21370
1505750 CIFC36 H40 Cl6 N6 O23 Pt3 Y2P b c a18.068; 19.887; 28.316
90; 90; 90
10174Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia
A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.
The journal of physical chemistry. B, 2006, 110, 21509-21520
1505751 CIFC34 H26P -15.4867; 12.864; 17.893
97.67; 90.92; 96
1244.2Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang
A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.
The journal of physical chemistry. B, 2006, 110, 20993-21000
1505752 CIFC38 H34P 1 21/c 113.6; 18.604; 5.675
90; 90.36; 90
1435.8Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang
A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.
The journal of physical chemistry. B, 2006, 110, 20993-21000

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