Crystallography Open Database
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Searching year of publication is 2010
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1502648 | CIF | C22 H19 N3 O2 S | C 1 2/c 1 | 17.4388; 15.7401; 14.454 90; 105.718; 90 | 3819.1 | Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry, 2010, 12, 286-291 |
| 1502649 | CIF | C19 H16 N4 O S | P 1 21/n 1 | 6.9999; 17.428; 13.8297 90; 96.91; 90 | 1674.89 | Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry, 2010, 12, 286-291 |
| 1502650 | CIF | C16 H13 Cl | P -1 | 7.673; 8.574; 9.724 99.406; 93.714; 93.823 | 627.9 | Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime Chemistry of vinylidenecyclopropanes. Chemical reviews, 2010, 110, 5883-5913 |
| 1502651 | CIF | C21 H22 | P -1 | 10.3256; 11.1547; 15.7258 108.462; 93.591; 91.936 | 1711.9 | Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime Chemistry of vinylidenecyclopropanes. Chemical reviews, 2010, 110, 5883-5913 |
| 1502652 | CIF | C18 H36 Cd N42 O18 | P -1 | 10.3425; 10.3727; 11.9922 110.546; 104.412; 97.464 | 1132.8 | Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu. A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties Journal of Chemical & Engineering Data, 2010, 55, 3109 |
| 1502653 | CIF | C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33 | P -1 | 11.008; 12.502; 13.118 74.75; 71.81; 65.93 | 1546.7 | Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates. Journal of agricultural and food chemistry, 2010, 58, 2715-2719 |
| 1502654 | CIF | C31 H28 Cl4 N8 O4 S2 | P 1 21/c 1 | 14.4537; 15.5982; 15.9569 90; 106.962; 90 | 3441 | Shao, Xusheng; Xu, Zhiping; Zhao, Xianfeng; Xu, Xiaoyong; Tao, Liming; Li, Zhong; Qian, Xuhong Synthesis, crystal structure, and insecticidal activities of highly congested hexahydroimidazo[1,2-a]pyridine derivatives: effect of conformation on activities. Journal of agricultural and food chemistry, 2010, 58, 2690-2695 |
| 1502655 | CIF | C14.5 H16 Cl2 N4 O3 | C 1 2/c 1 | 22.13; 9.2835; 15.475 90; 92.678; 90 | 3175.8 | Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities. Journal of agricultural and food chemistry, 2010, 58, 2696-2702 |
| 1502656 | CIF | C15 H17 Cl N4 O3 | P 1 21/n 1 | 8.1431; 17.6252; 10.9792 90; 108.142; 90 | 1497.4 | Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities. Journal of agricultural and food chemistry, 2010, 58, 2696-2702 |
| 1502657 | CIF | C13 H10 N6 O S2 | P 1 21/n 1 | 11.325; 5.1849; 23.851 90; 99.56; 90 | 1381.1 | Fan, Zhijin; Yang, Zhikun; Zhang, Haike; Mi, Na; Wang, Huan; Cai, Fei; Zuo, Xiang; Zheng, Qingxiang; Song, Haibin Synthesis, crystal structure, and biological activity of 4-methyl-1,2,3-thiadiazole-containing 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles. Journal of agricultural and food chemistry, 2010, 58, 2630-2636 |
| 1502658 | CIF | C27 H23 Cl3 N4 O2 | P 21 21 21 | 11.1695; 11.2252; 20.0044 90; 90; 90 | 2508.1 | Yan, Lin; Huo, Pei; Debenham, John S.; Madsen-Duggan, Christina B; Lao, Julie; Chen, Richard Z.; Xiao, Jing Chen; Shen, Chun-Pyn; Stribling, D. Sloan; Shearman, Lauren P.; Strack, Alison M.; Tsou, Nancy; Ball, Richard G.; Wang, Junying; Tong, Xinchun; Bateman, Thomas J.; Reddy, Vijay B. G.; Fong, Tung M.; Hale, Jeffrey J. Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. Journal of medicinal chemistry, 2010, 53, 4028-4037 |
| 1502659 | CIF | C17 H18 N4 O2 S | P -1 | 8.187; 10.274; 11.169 116.031; 92.445; 108.955 | 779.2 | Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry, 2010, 53, 5186-5196 |
| 1502660 | CIF | C18 H20 N4 O2 S | P 1 21/n 1 | 8.7051; 16.7415; 11.6695 90; 98.996; 90 | 1679.75 | Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry, 2010, 53, 5186-5196 |
| 1502661 | CIF | C48 H50 N16 Ni O11 | P -1 | 13.8735; 14.2569; 15.0005 106.463; 99.654; 113.031 | 2484.7 | Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry, 2010, 53, 6964-6972 |
| 1502662 | CIF | C32 H28 N14 Ni O4 | P -1 | 8.738; 12.35; 16.754 73.779; 75.733; 69.31 | 1601.9 | Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry, 2010, 53, 6964-6972 |
| 1502663 | CIF | C36 H28 N14 Ni O4 | C 1 2/c 1 | 13.226; 15.714; 16.609 90; 90.107; 90 | 3451.9 | Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M. In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi. Journal of medicinal chemistry, 2010, 53, 6964-6972 |
| 1502664 | CIF | C25 H52 Gd N5 O10 S | P -1 | 8.0364; 10.4906; 21.799 76.573; 86.307; 88.816 | 1783.8 | Raghunand, Natarajan; Guntle, Gerald P.; Gokhale, Vijay; Nichol, Gary S.; Mash, Eugene A.; Jagadish, Bhumasamudram Design, synthesis, and evaluation of 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derived, redox-sensitive contrast agents for magnetic resonance imaging. Journal of medicinal chemistry, 2010, 53, 6747-6757 |
| 1502665 | CIF | C16 H38 Cl2 N6 O2 Pt | P -1 | 7.336; 8.228; 10.622 83.82; 103.76; 103.21 | 605.3 | Marzano, Cristina; Mazzega Sbovata, Silvia; Gandin, Valentina; Colavito, Davide; Del Giudice, Elda; Michelin, Rino A.; Venzo, Alfonso; Seraglia, Roberta; Benetollo, Franco; Schiavon, Mariano; Bertani, Roberta A new class of antitumor trans-amine-amidine-Pt(II) cationic complexes: influence of chemical structure and solvent on in vitro and in vivo tumor cell proliferation. Journal of medicinal chemistry, 2010, 53, 6210-6227 |
| 1502666 | CIF | C19 H28 B10 O | C 1 2 1 | 24.701; 6.5249; 18.081 90; 131.621; 90 | 2178.5 | Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry, 2010, 53, 8012-8020 |
| 1502667 | CIF | C18 H26 B10 O | P 1 21/n 1 | 17.7571; 6.5335; 18.0351 90; 95.656; 90 | 2082.2 | Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry, 2010, 53, 8012-8020 |
| 1502668 | CIF | C16 H10 N3 | P 1 21/c 1 | 15.046; 9.845; 16.267 90; 98.773; 90 | 2381.4 | Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. Journal of medicinal chemistry, 2010, 53, 7613-7624 |
| 1502669 | CIF | C37 H33 F12 N7 O2 P2 Ru | P 1 21/c 1 | 14.756; 18.5156; 15.3421 90; 113.283; 90 | 3850.4 | Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. Journal of medicinal chemistry, 2010, 53, 7613-7624 |
| 1502670 | CIF | C26.5 H33 N O6.5 | P 1 21 1 | 5.1805; 17.2642; 28.104 90; 92.234; 90 | 2511.63 | Auzzas, Luciana; Larsson, Andreas; Matera, Riccardo; Baraldi, Annamaria; Deschênes-Simard, Benoît; Giannini, Giuseppe; Cabri, Walter; Battistuzzi, Gianfranco; Gallo, Grazia; Ciacci, Andrea; Vesci, Loredana; Pisano, Claudio; Hanessian, Stephen Non-natural macrocyclic inhibitors of histone deacetylases: design, synthesis, and activity. Journal of medicinal chemistry, 2010, 53, 8387-8399 |
| 1502671 | CIF | C22 H21 N3 O4 | C 1 2/c 1 | 17.16; 8.241; 28.64 90; 105.34; 90 | 3905.8 | Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand. Journal of medicinal chemistry, 2010, 53, 8760-8764 |
| 1502672 | CIF | C33 H52 O3 | P 21 21 21 | 7.2672; 11.8653; 33.6544 90; 90; 90 | 2901.94 | Genet, Cédric; Strehle, Axelle; Schmidt, Céline; Boudjelal, Geoffrey; Lobstein, Annelise; Schoonjans, Kristina; Souchet, Michel; Auwerx, Johan; Saladin, Régis; Wagner, Alain Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes. Journal of medicinal chemistry, 2010, 53, 178-190 |
| 1502673 | CIF | C19 H27 N4 O2.5 | C 1 2/c 1 | 13.2127; 14.571; 37.9181 90; 94.572; 90 | 7276.8 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1502674 | CIF | C19 H28 N4 O3 | P -1 | 7.3381; 10.1087; 13.655 74.375; 75.612; 70.157 | 903.66 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1502675 | CIF | B F3 H3 N | P b c a | 8.0067; 7.9511; 9.2216 90; 90; 90 | 587.07 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
| 1502676 | CIF | B H7 N2 | P b c n | 12.974; 5.0702; 9.5069 90; 90; 90 | 625.37 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
| 1502677 | CIF | C24 H42 N2 O2 | P 21 21 21 | 8.4016; 13.4207; 22.13 90; 90; 90 | 2495.3 | Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility. The journal of physical chemistry. B, 2010, 114, 5420-5426 |
| 1502678 | CIF | C44 H40 N2 O4 | P -1 | 8.4011; 10.7176; 11.4368 67.813; 83.709; 67.757 | 881.89 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502679 | CIF | C44 H40 N2 O4 | P -1 | 8.4065; 10.7888; 11.3346 66.999; 86.542; 67.967 | 872.67 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502680 | CIF | C44 H40 N2 O4 | P -1 | 8.4124; 10.7275; 11.4652 67.875; 84.032; 67.981 | 887.73 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502681 | CIF | C44 H40 N2 O4 | P -1 | 8.4248; 10.8144; 11.364 66.894; 86.649; 68.06 | 878.61 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502682 | CIF | C44 H40 N2 O4 | P -1 | 8.4113; 10.8816; 11.4046 65.404; 86.157; 66.822 | 866.65 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502683 | CIF | C44 H40 N2 O4 | P -1 | 8.3944; 10.8552; 11.3656 65.502; 86.065; 66.745 | 860.25 | Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A, 2010, 114, 7377-7381 |
| 1502684 | CIF | C30 H21 Au Cl4 O2 | P -1 | 7.5854; 10.1921; 17.4297 100.583; 90.868; 102.642 | 1290.32 | Hwang, In-Chul; Heo, Sung Woo; Singh, N. Jiten; Lee, Jung Woo; Chun, Young; Baek, Seung Bin; Jin, Kyeong Sik; Ree, Moonhor; Lee, Hee Cheon; Kim, Seung Bin; Kim, Kwang S. Self-assembled thermally highly stable 1-dimensional proton arrays. The journal of physical chemistry. B, 2010, 114, 7216-7221 |
| 1502685 | CIF | C110 H76 Cl4 Cu F6 N4 P | C 1 2/c 1 | 24.538; 28.186; 18.9595 90; 129.526; 90 | 10114.5 | Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X. Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes. The journal of physical chemistry. B, 2010, 114, 14521-14527 |
| 1502686 | CIF | C10 H16 F12 N4 P2 | C 1 2/c 1 | 22.186; 6.4852; 14.4065 90; 122.621; 90 | 1745.8 | Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B, 2010, 114, 7312-7319 |
| 1502687 | CIF | C16 H28 F12 N4 P2 | P -1 | 6.5214; 6.9156; 13.8874 97.336; 97.674; 99.448 | 605.07 | Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B, 2010, 114, 7312-7319 |
| 1502688 | CIF | C8 Cr D4 O5 | I m c m | 16.772; 13.145; 6.847 90; 90; 90 | 1509.5 | Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C, 2010, 114, 10648 |
| 1502689 | CIF | Al | F m -3 m | 4.0339; 4.0339; 4.0339 90; 90; 90 | 65.641 | Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C, 2010, 114, 10648 |
| 1502690 | CIF | O2.06 Si | C 1 2/m 1 | 18.6386; 13.49476; 7.63047 90; 101.616; 90 | 1879.94 | Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C, 2010, 114, 11650 |
| 1502691 | CIF | O2.27 Si | C 1 2/m 1 | 18.60462; 13.49472; 7.60745 90; 101.425; 90 | 1872.11 | Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C, 2010, 114, 11650 |
| 1502692 | CIF | C126 H66 N8 Zn | P -1 | 13.8831; 17.7009; 18.0031 97.4088; 106.035; 103.607 | 4042.63 | Yamada, Hiroko; Ohkubo, Kei; Kuzuhara, Daiki; Takahashi, Tetsuro; Sandanayaka, Atula S. D.; Okujima, Tetsuo; Ohara, Keishi; Ito, Osamu; Uno, Hidemitsu; Ono, Noboru; Fukuzumi, Shunichi Synthesis, crystal structure, and photodynamics of π-expanded porphyrin-fullerene dyads synthesized by Diels-Alder reaction. The journal of physical chemistry. B, 2010, 114, 14717-14728 |
| 1502693 | CIF | C27 H33 F6 N3 O13 P Ru3 | P 1 21/n 1 | 21.33; 7.7725; 22.864 90; 100.666; 90 | 3725.1 | Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B, 2010, 114, 14729-14734 |
| 1502694 | CIF | C34 H35 Cl9 N2 O14 Ru3 | P 1 21/n 1 | 14.657; 18.3; 17.958 90; 95.826; 90 | 4792 | Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B, 2010, 114, 14729-14734 |
| 1502695 | CIF | C24 H36 O8 | P 1 21/a 1 | 8.6041; 7.8833; 18.1199 90; 101.13; 90 | 1205.93 | Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains. The journal of physical chemistry. B, 2010, 114, 8181-8190 |
| 1502696 | CIF | C16 H12 Br N3 S | P -1 | 7.012; 8.204; 13.839 99.83; 104.43; 103.92 | 725.5 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
| 1502697 | CIF | C24 H18 N6 S | I b a 2 | 20.712; 24.812; 7.977 90; 90; 90 | 4099 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
| 1502698 | CIF | C21 H22 N4 S | P -1 | 7.796; 11.103; 11.989 116.03; 94.517; 90.441 | 928.6 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
| 1502699 | CIF | C16 H13 N3 S | P 1 21/c 1 | 9.245; 7.1205; 20.631 90; 98.268; 90 | 1344 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
| 1502700 | CIF | C9 H15 Li2 O6 Tl | P 21 21 21 | 4.909; 11.892; 23.014 90; 90; 90 | 1343.5 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
| 1502701 | CIF | C3 H5 O2 Tl | P c a 21 | 7.302; 10.636; 21.028 90; 90; 90 | 1633.1 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
| 1502702 | CIF | C15 Li2 O6 Tl | P 1 21/c 1 | 4.92085; 12.03031; 33.8289 90; 91.3425; 90 | 2002.1 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
| 1502703 | CIF | F N3 O2 S | C 1 c 1 | 7.0017; 13.5124; 5.017 90; 121.37; 90 | 405.27 | Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A, 2010, 114, 7624-7630 |
| 1502704 | CIF | C F3 N3 O2 S | P 1 21/c 1 | 5.0666; 17.0136; 7.0041 90; 106.13; 90 | 579.99 | Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A, 2010, 114, 7624-7630 |
| 1502705 | CIF | C23 H28 N2 | P 1 21/n 1 | 10.296; 11.5493; 17.6364 90; 100.126; 90 | 2064.5 | Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A, 2010, 114, 6766-6775 |
| 1502706 | CIF | C27 H32 N2 | P -1 | 6.8351; 7.4409; 24.397 89.25; 85.685; 69.736 | 1160.61 | Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A, 2010, 114, 6766-6775 |
| 1502707 | CIF | C16 H100 Cl N O32 | P 42/m | 23.5711; 23.5711; 12.4361 90; 90; 90 | 6909.5 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
| 1502708 | CIF | C16 H100 Cl N O32 | P 42/m | 23.5818; 23.5818; 12.4148 90; 90; 90 | 6903.9 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
| 1502709 | CIF | C16 H96 Cl N O30 | P 42/m | 23.5211; 23.5211; 12.488 90; 90; 90 | 6908.9 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
| 1502710 | CIF | C16 H96 Cl N O30 | P 42/m | 23.488; 23.488; 12.529 90; 90; 90 | 6912 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
| 1502711 | CIF | C134 H56 Gd3 N5 Ni | C 1 2/m 1 | 25.2056; 15.4634; 19.9594 90; 92.52; 90 | 7771.9 | Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes The Journal of Physical Chemistry C, 2010, 114, 13003 |
| 1502712 | CIF | C50 H24 Cl4 Mn N8 | C 1 2/c 1 | 19.4543; 10.1426; 22.8662 90; 92.539; 90 | 4507.5 | Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C, 2010, 114, 20614 |
| 1502713 | CIF | C50 H24 Cl4 Mn N8 | P 1 21/n 1 | 9.5196; 10.7091; 22.28 90; 92.8788; 90 | 2268.5 | Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C, 2010, 114, 20614 |
| 1502714 | CIF | C12 O12 Ru3 | P 1 21/n 1 | 7.9959; 14.6373; 14.3746 90; 100.578; 90 | 1653.79 | Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions. The journal of physical chemistry. A, 2010, 114, 9368-9373 |
| 1502715 | CIF | C54 H70 Cl4 Cu2 N12 O23 | C 1 2 1 | 35.166; 8.308; 22.479 90; 101.477; 90 | 6436 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
| 1502716 | CIF | C32 H38 Cl4 Cu2 N6 O12 | P 1 21/c 1 | 8.0644; 19.3905; 12.439 90; 99.56; 90 | 1918.11 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
| 1502717 | CIF | C33 H42 Cl4 Cu2 N6 O13 | P 1 21/c 1 | 7.9762; 19.5479; 26.4798 90; 93.901; 90 | 4119.1 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
| 1502718 | CIF | C98.7 H140 O96.95 | P 1 | 15.419; 15.464; 15.612 102.72; 102.012; 104.309 | 3380.1 | Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. The journal of physical chemistry. B, 2010, 114, 11489-11495 |
| 1502719 | CIF | C107 H47 Br | P 1 21/a 1 | 20.2439; 14.5966; 21.7947 90; 100.403; 90 | 6334.3 | Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C, 2010, 114, 17741 |
| 1502720 | CIF | C266 H120 O2 S4 | P -1 | 17.009; 22.21; 22.825 99.68; 104.3; 90.07 | 8228.22 | Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C, 2010, 114, 17741 |
| 1502721 | CIF | C4 H9 Li2 Mo N O9 | C 1 2/m 1 | 13.0031; 14.4347; 5.1506 90; 96.347; 90 | 960.82 | Deb, Dibakar; Giri, Santanab; Chattaraj, Pratim K.; Bhattacharjee, Manish Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies. The journal of physical chemistry. A, 2010, 114, 10871-10877 |
| 1502722 | CIF | C7 H8 N2 O | C 1 2/c 1 | 19.7305; 7.5421; 19.521 90; 108.659; 90 | 2752.22 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502723 | CIF | C8 H10 N2 O | P -1 | 7.76; 8.5323; 12.8473 86.484; 86.143; 70.363 | 798.66 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502724 | CIF | C8 H10 N2 O | P c c n | 12.7255; 15.1322; 8.1552 90; 90; 90 | 1570.4 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502725 | CIF | C9 H12 N2 O | P 1 21/c 1 | 16.3623; 9.5058; 12.8922 90; 112.879; 90 | 1847.46 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502726 | CIF | C9 H12 N2 O | C 1 2/c 1 | 15.0714; 9.4669; 12.7208 90; 90.861; 90 | 1814.8 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502727 | CIF | C10 H14 N2 O | R 3 c :H | 23.5657; 23.5657; 9.5946 90; 90; 120 | 4614.43 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502728 | CIF | C10 H14 N2 O | P 1 21/n 1 | 9.8731; 10.0067; 30.9126 90; 95.154; 90 | 3041.73 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502729 | CIF | C11 H16 N2 O | P b c a | 11.0135; 10.1491; 19.8528 90; 90; 90 | 2219.09 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502730 | CIF | C16 H20 N2 O | P c c n | 9.8846; 27.5538; 9.9296 90; 90; 90 | 2704.41 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502731 | CIF | C14 H18 N4 O10 S | P 1 21/c 1 | 9.2829; 6.2367; 31.336 90; 95.449; 90 | 1806 | Stevens, Joanna S.; Byard, Stephen J.; Muryn, Christopher A.; Schroeder, Sven L. M. Identification of protonation state by XPS, solid-state NMR, and DFT: characterization of the nature of a new theophylline complex by experimental and computational methods. The journal of physical chemistry. B, 2010, 114, 13961-13969 |
| 1502732 | CIF | C21 H17 N O | P 1 21/c 1 | 8.966; 18.422; 10.4846 90; 116.327; 90 | 1552.1 | Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A, 2010, 114, 12028-12041 |
| 1502733 | CIF | C38.5 H38.75 F12 N3.25 O0.5 P2 | P -1 | 8.0652; 13.81; 20.684 106.539; 99.424; 96.092 | 2150.1 | Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A, 2010, 114, 12028-12041 |
| 1502734 | CIF | C44 H30 | R -3 :H | 39.1553; 39.1553; 11.16743 90; 90; 120 | 14827.4 | Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C, 2010, 114, 18702 |
| 1502735 | CIF | C60 H42 | P 1 21/n 1 | 10.5356; 9.7161; 41.525 90; 94.721; 90 | 4236.3 | Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C, 2010, 114, 18702 |
| 1502736 | CIF | C24 H25 N O2 | P 21 21 21 | 6.1987; 16.054; 20.033 90; 90; 90 | 1993.6 | Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A, 2010, 114, 12522-12530 |
| 1502737 | CIF | C24 H25 N O3 | P 1 21 1 | 11.414; 8.499; 11.529 90; 115.28; 90 | 1011.3 | Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A, 2010, 114, 12522-12530 |
| 1502738 | CIF | C21 H24 F6 N3 O3 P S | P -1 | 9.4565; 11.8283; 11.8421 73.341; 67.179; 76.833 | 1159.42 | Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses? The Journal of Physical Chemistry C, 2010, 114, 22289 |
| 1502739 | CIF | C12 H4 Fe3 O11 | P 1 21/c 1 | 7.4672; 16.4731; 13.7414 90; 103.927; 90 | 1640.61 | Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A, 2010, 114, 13418-13433 |
| 1502740 | CIF | C12 H4 Fe3 O11 | P 1 21/c 1 | 7.4672; 16.4731; 13.7414 90; 103.927; 90 | 1640.61 | Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A, 2010, 114, 13418-13433 |
| 1502741 | CIF | C10 H8 Cl N O | P -1 | 7.088; 7.22; 9.14 92.55; 106.95; 110.32 | 414 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502742 | CIF | C5 H4 Cl N O | F d d 2 | 23.1021; 25.1758; 3.7363 90; 90; 90 | 2173.08 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502743 | CIF | C11 H9 Cl2 N | P 1 21/c 1 | 14.98; 4.5662; 14.858 90; 94.87; 90 | 1012.6 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502744 | CIF | C20 H14 O | P 1 2/c 1 | 12.8954; 5.5486; 20.0322 90; 106.472; 90 | 1374.51 | Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran. The journal of physical chemistry. A, 2010, 114, 1457-1473 |
| 1502745 | CIF | C18 H14 N2 O4 | P 1 21/n 1 | 19.3408; 3.8902; 20.212 90; 90.594; 90 | 1520.7 | Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A, 2010, 114, 172-182 |
| 1502746 | CIF | C18 H14 N2 O4 | P -1 | 6.3063; 10.8492; 12.374 107.847; 98.976; 103.827 | 758.1 | Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A, 2010, 114, 172-182 |
| 1502747 | CIF | C15 H15 N3 O4 | P -1 | 7.0295; 8.7268; 12.5523 73.754; 81.99; 78.751 | 722.127 | Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B, 2010, 114, 321-329 |
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