Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1501653 | CIF | C14 H10 N2 O2 | C 1 2/c 1 | 13.0342; 12.2529; 13.7875 90; 97.983; 90 | 2180.6 | Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes Journal of Chemical Theory and Computation, 2011, 7, 1882 |
| 1501654 | CIF | B5 H4 K0.99 O10 | P 1 21/c 1 | 9.4619; 7.4691; 11.374 90; 97.412; 90 | 797.11 | Wang, Shuao; Diwu, Juan; Simonetti, Antonio; Booth, Corwin H.; Albrecht-Schmitt, Thomas E Interstitial incorporation of plutonium into a low-dimensional potassium borate. Environmental science & technology, 2011, 45, 9457-9463 |
| 1501655 | CIF | C5 H13 N3 O2 | P 1 21/c 1 | 8.8542; 8.1328; 10.5772 90; 106.403; 90 | 730.66 | Harper, Naomi D.; Nizio, Katie D.; Hendsbee, Arthur D.; Masuda, Jason D.; Robertson, Katherine N.; Murphy, Luke J.; Johnson, Michel B.; Pye, Cory C.; Clyburne, Jason A. C. Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent§ Industrial & Engineering Chemistry Research, 2011, 50, 2822 |
| 1501656 | CIF | C36 H26 Co N15 O | P -1 | 10.323; 11.261; 16.139 89.022; 71.794; 66.99 | 1628.5 | Li, Bing; Wei, Qing; Yang, Qi; Chen, Sanping; Gao, Shengli Synthesis, Structure, and Thermophysical Properties of an Energetic Complex Co(3-(2-pyridyl)-5-(3′-pyridyl)-1H-1,2,4-triazole)3·H2O Journal of Chemical & Engineering Data, 2011, 56, 3043 |
| 1501657 | CIF | C16 H20 N4 O2 S | P 1 21/c 1 | 11.724; 9.2465; 15.567 90; 95.26; 90 | 1680.4 | Wang, Huan; Yang, Zhikun; Fan, Zhijin; Wu, Qingjun; Zhang, Youjun; Mi, Na; Wang, Shouxin; Zhang, Zhengcai; Song, Haibin; Liu, Feng Synthesis and insecticidal activity of N-tert-butyl-N,N'-diacylhydrazines containing 1,2,3-thiadiazoles. Journal of agricultural and food chemistry, 2011, 59, 628-634 |
| 1501658 | CIF | C16 H13 Cl3 N6 O2 | P 1 21/c 1 | 16.4438; 10.2569; 11.1264 90; 104.256; 90 | 1818.8 | Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids. Journal of agricultural and food chemistry, 2011, 59, 10615-10623 |
| 1501659 | CIF | C18 H19 Cl N6 O2 | P 1 21/c 1 | 15.867; 7.9286; 15.923 90; 113.221; 90 | 1840.9 | Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids. Journal of agricultural and food chemistry, 2011, 59, 10615-10623 |
| 1501660 | CIF | C26 H26 N2 O2 | P 21 21 21 | 11.2339; 11.6808; 16.4783 90; 90; 90 | 2162.3 | Trapella, Claudio; Pela, Michela; Del Zoppo, Luisa; Calo, Girolamo; Camarda, Valeria; Ruzza, Chiara; Cavazzini, Alberto; Costa, Valentina; Bertolasi, Valerio; Reinscheid, Rainer K.; Salvadori, Severo; Guerrini, Remo Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68). Journal of medicinal chemistry, 2011, 54, 2738-2744 |
| 1501661 | CIF | C46 H36 Br4 N2 O7 | P 21 21 21 | 8.6598; 21.3183; 23.6397 90; 90; 90 | 4364.2 | Magedov, Igor V.; Frolova, Liliya; Manpadi, Madhuri; Bhoga, Uma devi; Tang, Hong; Evdokimov, Nikolai M.; George, Olivia; Georgiou, Kathy Hadje; Renner, Steffen; Getlik, Matthäus; Kinnibrugh, Tiffany L.; Fernandes, Manuel A.; Van slambrouck, Severine; Steelant, Wim F. A.; Shuster, Charles B.; Rogelj, Snezna; van Otterlo, Willem A. L.; Kornienko, Alexander Anticancer properties of an important drug lead podophyllotoxin can be efficiently mimicked by diverse heterocyclic scaffolds accessible via one-step synthesis. Journal of medicinal chemistry, 2011, 54, 4234-4246 |
| 1501662 | CIF | C18 H18 N4 O4 S | P 1 21/n 1 | 13.6739; 17.3161; 14.9225 90; 98.051; 90 | 3498.5 | Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M. Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein. Journal of medicinal chemistry, 2011, 54, 5878-5889 |
| 1501663 | CIF | C16 H14 N4 O S | P 1 21/c 1 | 16.7856; 5.4114; 16.1237 90; 100.73; 90 | 1438.97 | Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M. Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein. Journal of medicinal chemistry, 2011, 54, 5878-5889 |
| 1501664 | CIF | C17 H24 Br N O4 Si | P 21 21 21 | 6.5913; 15.0012; 20.319 90; 90; 90 | 2009.1 | Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents. Journal of medicinal chemistry, 2011, 54, 7493-7502 |
| 1501665 | CIF | C18 H17 Cl2 F N4 O | P 1 21/c 1 | 8.1141; 10.4273; 22.6565 90; 108.576; 90 | 1817.1 | Yu, Wenquan; Goddard, Cally; Clearfield, Elizabeth; Mills, Courtney; Xiao, Tong; Guo, Haitao; Morrey, John D.; Motter, Neil E.; Zhao, Kang; Block, Timothy M.; Cuconati, Andrea; Xu, Xiaodong Design, synthesis, and biological evaluation of triazolo-pyrimidine derivatives as novel inhibitors of hepatitis B virus surface antigen (HBsAg) secretion. Journal of medicinal chemistry, 2011, 54, 5660-5670 |
| 1501666 | CIF | C21 H30 F3 N O3 | P 21 21 21 | 8.1766; 10.4313; 23.7612 90; 90; 90 | 2026.65 | Woods, James R.; Mo, Huaping; Bieberich, Andrew A.; Alavanja, Tanja; Colby, David A. Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments. Journal of medicinal chemistry, 2011, 54, 7934-7941 |
| 1501667 | CIF | C24 H21 Cl N4 O6 | P -1 | 9.0566; 12.7489; 12.9111 110.172; 103.14; 105.713 | 1259.3 | Bollini, Mariela; Domaoal, Robert A.; Thakur, Vinay V.; Gallardo-Macias, Ricardo; Spasov, Krasimir A.; Anderson, Karen S.; Jorgensen, William L. Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents. Journal of medicinal chemistry, 2011, 54, 8582-8591 |
| 1501668 | CIF | C42 H48 Cl Eu N2 O11 | P -1 | 12.1445; 13.1978; 14.8062 110.115; 106.619; 90.128 | 2121.92 | Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application The Journal of Physical Chemistry C, 2011, 115, 2332 |
| 1501669 | CIF | C97 H69 Cl5 N4 O4 Sn | P 1 21/n 1 | 25.106; 16.854; 37.347 90; 92.653; 90 | 15786 | Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer. The journal of physical chemistry. A, 2011, 115, 986-997 |
| 1501670 | CIF | C100 H80 N4 O8 Sn | P -1 | 11.4345; 12.6971; 14.1793 103.943; 101.911; 93.6347 | 1941.03 | Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer. The journal of physical chemistry. A, 2011, 115, 986-997 |
| 1501671 | CIF | C14 H22 N6 O8 S6 | P -1 | 5.1965; 10.0137; 23.4643 94.749; 92.033; 101.423 | 1191.02 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
| 1501672 | CIF | C22 H32 N4 O15 S6 | P 1 21/n 1 | 8.261; 43.783; 9.625 90; 101.617; 90 | 3410 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
| 1501673 | CIF | C16 H30 N4 O8 S8 | P c a 21 | 11.432; 24.09; 10.121 90; 90; 90 | 2787 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
| 1501674 | CIF | C5 H11 F3 N2 | P -1 | 7.357; 8.151; 8.444 59.374; 61.691; 65.709 | 373.9 | Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids The Journal of Physical Chemistry C, 2011, 115, 4324 |
| 1501675 | CIF | C5 H12 F4 N2 | P 1 21/n 1 | 5.598; 10.6076; 14.5523 90; 92.713; 90 | 863.17 | Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids The Journal of Physical Chemistry C, 2011, 115, 4324 |
| 1501676 | CIF | C56.75 H87 N2 O8.75 P2 S2 | P -1 | 16.4633; 18.7981; 21.8791 94.8166; 93.3602; 115.825 | 6039.05 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
| 1501677 | CIF | C57 H86 Cl2 N2 O8 P2 S2 | P 1 21/n 1 | 12.773; 19.556; 23.982 90; 101.691; 90 | 5866.2 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
| 1501678 | CIF | C58 H87 Ag Cl2 N3 Na O16 P2 S2 | P -1 | 11.91; 16.698; 18.973 98.27; 104.48; 109.57 | 3333.5 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
| 1501679 | CIF | C64 H104 O24 P8 S8 | P -1 | 12.6039; 17.4686; 21.7674 71.24; 80.801; 71.7 | 4299.21 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
| 1501680 | CIF | C50 H46 N4 O4 S4 | P 1 21/c 1 | 17.756; 21.9782; 11.5593 90; 100.667; 90 | 4433 | Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J. A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer The Journal of Physical Chemistry C, 2011, 115, 2592 |
| 1501681 | CIF | C196 H128 Cl8 | P 1 21/c 1 | 11.849; 17.35; 21.055 90; 121.146; 90 | 3704.5 | Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes The Journal of Physical Chemistry C, 2011, 115, 4872 |
| 1501682 | CIF | C17 H16 N2 O3 V | P 21 21 21 | 11.905; 17.238; 7.529 90; 90; 90 | 1545.1 | Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands. The journal of physical chemistry. B, 2011, 115, 8465-8473 |
| 1501683 | CIF | C14 H10 O2 | P 21 21 21 | 8.1037; 10.127; 12.519 90; 90; 90 | 1027.4 | Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution. The journal of physical chemistry. B, 2011, 115, 3588-3603 |
| 1501684 | CIF | B10 H30 Mg O10 | C 1 2/c 1 | 14.22; 16.974; 15.099 90; 92.46; 90 | 3641.1 | Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O The Journal of Physical Chemistry C, 2011, 115, 11793 |
| 1501685 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.2039; 5.99673; 4.5435 90; 93.8032; 90 | 223.032 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501686 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.20987; 5.99729; 4.54601 90; 93.8491; 90 | 223.327 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501687 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.21673; 5.99825; 4.54871 90; 93.8929; 90 | 223.67 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501688 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22307; 5.99899; 4.55113 90; 93.9367; 90 | 223.978 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501689 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22913; 5.99941; 4.55352 90; 93.9808; 90 | 224.265 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501690 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.23546; 5.99997; 4.55596 90; 94.0251; 90 | 224.566 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501691 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24185; 6.00052; 4.55819 90; 94.071; 90 | 224.858 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501692 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24909; 6.00107; 4.56111 90; 94.1234; 90 | 225.206 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501693 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.25578; 6.00157; 4.56351 90; 94.1741; 90 | 225.511 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501694 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26299; 6.00194; 4.56608 90; 94.2299; 90 | 225.833 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501695 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26972; 6.00243; 4.56867 90; 94.2836; 90 | 226.148 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501696 | CIF | C2 Cl N | P 4/n m m :2 | 5.05111; 5.05111; 9.99493 90; 90; 90 | 255.008 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
| 1501697 | CIF | C21 H25 N Si | P -1 | 10.7935; 11.3034; 16.2004 107.802; 93.422; 95.478 | 1865 | Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State The Journal of Physical Chemistry C, 2011, 115, 11265 |
| 1501698 | CIF | C27 H26 F3 N Si | P 21 21 21 | 8.0586; 14.782; 20.24 90; 90; 90 | 2411 | Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State The Journal of Physical Chemistry C, 2011, 115, 11265 |
| 1501699 | CIF | C36 H42 N O4 Sb | P 1 21/n 1 | 13.5746; 15.9506; 15.0855 90; 97.841; 90 | 3235.8 | Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A. Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen. The journal of physical chemistry. A, 2011, 115, 8271-8281 |
| 1501700 | CIF | C37 H45 N2 O3 Sb | P -1 | 10.0526; 11.8361; 14.5638 88.56; 82.17; 68.61 | 1597.88 | Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A. Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen. The journal of physical chemistry. A, 2011, 115, 8271-8281 |
| 1501701 | CIF | C46 H58 N8 O6 Si7 | P 1 21/n 1 | 9.3149; 26.6012; 11.3777 90; 111.083; 90 | 2630.5 | Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A, 2011, 115, 12474-12485 |
| 1501702 | CIF | C78 H74 N16 O7 Si8 | P 1 21/n 1 | 13.1488; 22.8889; 27.0083 90; 99.438; 90 | 8018.4 | Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A, 2011, 115, 12474-12485 |
| 1501703 | CIF | C110 H90 N24 O8 Si9 | P -1 | 13.421; 14.371; 14.662 85.17; 68.66; 83.53 | 2614 | Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A, 2011, 115, 12474-12485 |
| 1501704 | CIF | C149 H114 N32 O9 Si10 | P 1 21/n 1 | 13.6979; 26.0454; 36.932 90; 94.737; 90 | 13131.1 | Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A, 2011, 115, 12474-12485 |
| 1501705 | CIF | C50 H42 N4 O4 | P 1 21/c 1 | 14.214; 20.356; 13.807 90; 106.48; 90 | 3830.8 | Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A, 2011, 115, 4650-4656 |
| 1501706 | CIF | C52 H44 Cl6 N4 O4 | P -1 | 12.8243; 13.389; 15.859 79.107; 75.49; 63.12 | 2342.3 | Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A, 2011, 115, 4650-4656 |
| 1501707 | CIF | C54 H52 N2 S2 | P -1 | 5.7587; 17.681; 21.772 111.793; 91.7; 92.295 | 2054.4 | Zhang, Xiqi; Chi, Zhenguo; Zhang, Jianyong; Li, Haiyin; Xu, Bingjia; Li, Xiaofang; Liu, Siwei; Zhang, Yi; Xu, Jiarui Piezofluorochromic properties and mechanism of an aggregation-induced emission enhancement compound containing N-hexyl-phenothiazine and anthracene moieties. The journal of physical chemistry. B, 2011, 115, 7606-7611 |
| 1501708 | CIF | C10 H13 N3 O2 S | P b c a | 11.0859; 13.0805; 15.8132 90; 90; 90 | 2293.06 | Farrugia, Louis J.; Khalaji, Aliakbar Dehno Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. The journal of physical chemistry. A, 2011, 115, 12512-12522 |
| 1501709 | CIF | C16 H18 Cl2 N4 O11 | P 1 21/c 1 | 16.8233; 6.6778; 18.9912 90; 101.312; 90 | 2092.07 | Hao, Erhong; Meng, Ting; Zhang, Min; Pang, Weidong; Zhou, Yunyou; Jiao, Lijuan Solvent dependent fluorescent properties of a 1,2,3-triazole linked 8-hydroxyquinoline chemosensor: tunable detection from zinc(II) to iron(III) in the CH3CN/H2O system. The journal of physical chemistry. A, 2011, 115, 8234-8241 |
| 1501710 | CIF | C11 H11 F6 N3 O4 S2 | P 1 21/n 1 | 11.2891; 12.2491; 12.4087 90; 97.027; 90 | 1703 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501711 | CIF | C9 H7 F6 N3 O4 S2 | P -1 | 8.1408; 8.7005; 10.582 80.863; 76.27; 81.141 | 713.551 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501712 | CIF | C11 H11 F6 N3 O4 S2 | P 1 21/c 1 | 8.255; 13.88; 14.205 90; 92.159; 90 | 1626.4 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501713 | CIF | C12 H13 F6 N3 O4 S2 | P 1 21/n 1 | 11.5159; 12.2778; 12.5068 90; 96.726; 90 | 1756.17 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501714 | CIF | C10 H9 F6 N3 O4 S2 | P 1 21/n 1 | 12.687; 8.186; 15.537 90; 106.36; 90 | 1548.3 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501715 | CIF | C11 H11 F6 N3 O4 S2 | P -1 | 8.2118; 8.6844; 12.6209 98.692; 104.289; 104.167 | 823.97 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501716 | CIF | C11 H11 F6 N3 O4 S2 | P -1 | 8.134; 12.4922; 17.291 72.707; 80.807; 80.637 | 1643.6 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
| 1501717 | CIF | C22 H30 N4 O2 | P -1 | 6.9676; 8.345; 9.765 79.75; 70.26; 83.19 | 524.8 | Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives The Journal of Physical Chemistry C, 2011, 115, 14353 |
| 1501718 | CIF | C22 H30 N4 O2 | P 1 21/n 1 | 12.055; 6.5584; 13.381 90; 95.95; 90 | 1052.2 | Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives The Journal of Physical Chemistry C, 2011, 115, 14353 |
| 1501719 | CIF | C42 H23 B F24 N2 | P 1 21/n 1 | 13.1238; 18.615; 18.123 90; 100.884; 90 | 4347.8 | Kong, S.; Borissova, A. O.; Lesnichin, S. B.; Hartl, M.; Daemen, L. L.; Eckert, J.; Antipin, M. Yu; Shenderovich, I. G. Geometry and spectral properties of the protonated homodimer of pyridine in the liquid and solid states. A combined NMR, X-ray diffraction and inelastic neutron scattering study. The journal of physical chemistry. A, 2011, 115, 8041-8048 |
| 1501720 | CIF | C28 H23 N O2 | P 1 21/c 1 | 11.7245; 11.2382; 32.084 90; 100.429; 90 | 4157.6 | Chudomel, J. Matthew; Yang, Boqian; Barnes, Michael D.; Achermann, Marc; Mague, Joel T.; Lahti, Paul M. Highly twisted triarylamines for photoinduced intramolecular charge transfer. The journal of physical chemistry. A, 2011, 115, 8361-8368 |
| 1501721 | CIF | C5 H10 N2 S2 | C 1 2/c 1 | 10.3212; 8.8807; 7.5565 90; 93.299; 90 | 691.48 | Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective. The journal of physical chemistry. A, 2011, 115, 12738-12745 |
| 1501722 | CIF | C9 H10 Cl N O | P 1 21/c 1 | 6.858; 7.636; 18.221 90; 92.605; 90 | 953.2 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501723 | CIF | C9 H10 Cl N O | P 1 21/c 1 | 7.705; 7.146; 17.57 90; 100.15; 90 | 952 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501724 | CIF | C9 H10 Cl N O | P n m a | 13.383; 6.769; 10.267 90; 90; 90 | 930.1 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501725 | CIF | C13 H10 Cl N O | P 21 21 21 | 6.0806; 12.2086; 15.577 90; 90; 90 | 1156.37 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501726 | CIF | C13 H10 Cl N O | P 1 21/c 1 | 11.754; 5.765; 16.944 90; 94.743; 90 | 1144.2 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501727 | CIF | C13 H10 Cl N O | P -1 | 5.3862; 7.8721; 13.6512 106.554; 98.414; 90.624 | 548.013 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501728 | CIF | C20 H32 Cl N O | P 1 21/n 1 | 6.1089; 9.7134; 34.042 90; 91.716; 90 | 2019.1 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501729 | CIF | C9 H9 Cl2 N O | P -1 | 7.034; 7.673; 10.57 83.42; 70.6; 82.082 | 532 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501730 | CIF | C5 H17 B5 N2 O10 | P 1 21/c 1 | 9.5031; 14.1216; 10.4957 90; 90.586; 90 | 1408.44 | Hathwar, Venkatesha R.; Paul, Avijit Kumar; Natarajan, Srinivasan; Row, Tayur N Guru Charge density analysis of a pentaborate ion in an ammonium borate: toward the understanding of topological features in borate minerals. The journal of physical chemistry. A, 2011, 115, 12818-12825 |
| 1501731 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.3541; 7.8376; 21.571 90; 93.994; 90 | 1577.6 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501732 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.4963; 8.0181; 21.3804 90; 94.107; 90 | 1623.77 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501733 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.4963; 8.0181; 21.3804 90; 94.107; 90 | 1623.77 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501734 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.5862; 8.1401; 21.2445 90; 94.236; 90 | 1653.24 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501735 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.6404; 8.2037; 21.187 90; 94.384; 90 | 1670.7 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501736 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.6444; 8.216; 21.172 90; 94.206; 90 | 1673.1 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501737 | CIF | C22 H12 O2 S | P 1 21/n 1 | 9.656; 8.247; 21.156 90; 94.6; 90 | 1679.3 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501738 | CIF | C28 H16 O2 | P 1 21/n 1 | 10.1199; 8.2949; 11.6257 90; 109.455; 90 | 920.2 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501739 | CIF | C28 H16 O2 | P 1 21/n 1 | 10.1822; 8.4359; 11.6494 90; 109.537; 90 | 943.03 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501740 | CIF | C28 H16 O2 | P 1 21/n 1 | 10.2391; 8.5602; 11.6621 90; 109.646; 90 | 962.67 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501741 | CIF | C28 H16 O2 | P 1 21/n 1 | 10.2759; 8.6249; 11.6667 90; 109.729; 90 | 973.31 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501742 | CIF | C28 H16 O2 | P 1 21/n 1 | 10.2832; 8.6313; 11.6644 90; 109.758; 90 | 974.35 | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A, 2011, 115, 8563-8570 |
| 1501743 | CIF | C29 H17 N | P 1 21/c 1 | 12.102; 6.175; 25.167 90; 92.532; 90 | 1878.9 | Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films The Journal of Physical Chemistry C, 2011, 115, 15502 |
| 1501744 | CIF | C56 H38 N4 | P -1 | 12.15; 13.307; 14.206 64.599; 71.92; 74.904 | 1950.5 | Yamashita, Hiroaki; Abe, Jiro Photochromic properties of [2.2]paracyclophane-bridged imidazole dimer with increased photosensitivity by introducing pyrenyl moiety. The journal of physical chemistry. A, 2011, 115, 13332-13337 |
| 1501745 | CIF | C11 H8 N4 S | C 1 2/c 1 | 10.97; 8.986; 20.881 90; 103.66; 90 | 2000.2 | Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J. Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine. The journal of physical chemistry. A, 2011, 115, 11775-11787 |
| 1501746 | CIF | C9 H40 F N15 O12 S3 | P n a 21 | 20.353; 14.179; 10.415 90; 90; 90 | 3005.6 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501747 | CIF | C9 H40 F N15 O12 S3 | P 21 21 21 | 10.517; 14.329; 20.204 90; 90; 90 | 3044.7 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501748 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.171; 10.563; 14.348 90; 90; 90 | 3057.1 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501749 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.272; 10.583; 14.327 90; 90; 90 | 3073.7 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501750 | CIF | C13 H18 N2 | C 1 2/c 1 | 16.649; 14.441; 20.354 90; 92.7; 90 | 4888.2 | Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A, 2011, 115, 10823-10845 |
| 1501751 | CIF | C11 H9 N3 | P -1 | 7.947; 8.13; 8.153 85.9; 76.26; 64.85 | 462.9 | Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A, 2011, 115, 10823-10845 |
| 1501752 | CIF | C12 H13 N3 | P 1 21/c 1 | 7.462; 10.6319; 14.242 90; 102.453; 90 | 1103.31 | Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A, 2011, 115, 10823-10845 |
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