Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1506353 | CIF | C23 H21 F4 N O4 | P -1 | 8.8822; 9.7444; 12.9675 76.306; 72.48; 89.873 | 1036.98 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1506354 | CIF | C9 H8 I N O2 | P 1 21/c 1 | 4.1515; 16.0162; 14.1406 90; 97.411; 90 | 932.37 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1506355 | CIF | C22 H32 Cl2 N2 O6 Pt | P 1 21/c 1 | 7.7485; 18.294; 18.356 90; 92.129; 90 | 2600.2 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506356 | CIF | C26 H36 Cl2 N2 O6 Pt | I 1 2/a 1 | 23.951; 7.8455; 32.732 90; 110.353; 90 | 5766.6 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506357 | CIF | C24 H30 Cl2 N4 O6 Pt | P -1 | 7.8196; 12.2969; 16.4366 81.492; 77.063; 88.498 | 1523.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506358 | CIF | C20 H24 Cl2 N2 O9 Pt | P -1 | 8.9038; 12.4327; 12.8543 62.59; 82.906; 72.039 | 1201.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506359 | CIF | C57 H58 N2 O22 | P 31 | 15.6681; 15.6681; 17.4559 90; 90; 120 | 3711.12 | Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H. Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA. Journal of medicinal chemistry, 2005, 48, 7648-7657 |
| 1506360 | CIF | C24 H19 N | P -1 | 9.204; 9.325; 11.096 72.871; 80.424; 71.413 | 859.86 | Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence. The journal of physical chemistry. B, 2005, 109, 8626-8633 |
| 1506361 | CIF | C28 H28 N2 O2 | P 1 21/n 1 | 7.4962; 14.7065; 19.2131 90; 93.091; 90 | 2115.03 | Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B, 2005, 109, 8008-8016 |
| 1506362 | CIF | C32 H36 N2 O2 | P 1 21/c 1 | 5.0894; 16.0916; 15.8959 90; 98.732; 90 | 1286.73 | Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B, 2005, 109, 8008-8016 |
| 1506363 | CIF | C58 H44 N2 Nd O6.5 | P -1 | 12.5701; 13.0988; 16.2767 93.17; 96.448; 109.387 | 2499.8 | Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B, 2005, 109, 6174-6182 |
| 1506364 | CIF | C57 H41 N2 O6 Yb | P 1 21/n 1 | 15.5804; 17.0282; 17.6621 90; 91.779; 90 | 4683.6 | Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B, 2005, 109, 6174-6182 |
| 1506365 | CIF | C8 H8 N3 O6 | P -1 | 6.7331; 7.8045; 10.4466 94.764; 108.278; 97.433 | 512.4 | Jones, H. P.; Davey, R. J.; Cox, B. G. Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior. The journal of physical chemistry. B, 2005, 109, 5273-5278 |
| 1506366 | CIF | C19 H21 F6 N2 P | P 21 21 21 | 10.2149; 12.5025; 15.0057 90; 90; 90 | 1916.4 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506367 | CIF | C43 H41 B N2 | P 1 21 1 | 8.484; 19.347; 19.586 90; 90.506; 90 | 3215 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506368 | CIF | C19 H21 B F4 N2 | P 21 21 21 | 10.7207; 10.8545; 15.4841 90; 90; 90 | 1801.85 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506369 | CIF | C64 H80 N8 Ni O8 | P -1 | 14.107; 14.121; 16.871 86.52; 72.52; 73.3 | 3069.2 | Gunaratne, Tissa C.; Gusev, Alexey V.; Peng, Xinzhan; Rosa, Angela; Ricciardi, Giampaolo; Baerends, Evert Jan; Rizzoli, Corrado; Kenney, Malcolm E.; Rodgers, Michael A. J. Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies. The journal of physical chemistry. A, 2005, 109, 2078-2089 |
| 1506370 | CIF | C37 H49 N6 O9 | P c a 21 | 14.77; 20.689; 12.699 90; 90; 90 | 3881 | Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Exchange interaction in covalently bonded biradical-monoradical composite molecules. The journal of physical chemistry. B, 2005, 109, 3303-3309 |
| 1506371 | CIF | C44 H64 N4 O4 P2 Pt | P -1 | 10.9367; 11.2973; 11.4492 110.738; 109.796; 104.578 | 1128.32 | Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S. Structure-optical property relationships in organometallic sydnones. The journal of physical chemistry. A, 2005, 109, 999-1007 |
| 1506372 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.744; 6.79; 19.472 90; 95.159; 90 | 888 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506373 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.7679; 6.779; 19.487 90; 95.446; 90 | 890 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506374 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.774; 6.803; 19.441 90; 95.329; 90 | 892 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506375 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.787; 6.802; 19.532 90; 95.266; 90 | 897.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506376 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.831; 6.838; 19.525 90; 95.482; 90 | 907.8 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506377 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.7989; 6.8226; 19.4639 90; 95.102; 90 | 899.28 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506378 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.8272; 6.8456; 19.484 90; 94.983; 90 | 907.2 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506379 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.726; 6.732; 19.418 90; 95.391; 90 | 875.347 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506380 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0567; 5.9409; 30.223 90; 91.019; 90 | 728.3 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506381 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0688; 5.9466; 30.253 90; 90.982; 90 | 731.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506382 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0778; 5.9724; 30.243 90; 90.893; 90 | 736.5 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506383 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.096; 5.9745; 30.157 90; 90.852; 90 | 737.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506384 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506385 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506386 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506387 | CIF | C6 H6 Au3 N6 O3 Tb | P 63/m c m | 6.622; 6.622; 18.147 90; 90; 120 | 689.15 | Tanner, Peter A.; Zhou, Xianju; Wong, Wing-Tak; Kratzer, Cornelius; Yersin, Hartmut Structure and spectroscopy of Tb[Au(CN)2]3.3H2O. The journal of physical chemistry. B, 2005, 109, 13083-13090 |
| 1506388 | CIF | C24 H22 | P 21 21 21 | 36.813; 6.2947; 7.5555 90; 90; 90 | 1750.8 | Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission. The journal of physical chemistry. B, 2005, 109, 13472-13482 |
| 1506389 | CIF | C3 H7 Al3 N O13 P3 | C 1 c 1 | 12.8203; 12.18269; 26.99238 90; 91.843; 90 | 4213.64 | Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B, 2005, 109, 11893-11899 |
| 1506390 | CIF | C2 H8 Al2 F N O8 P2 | P 1 21/c 1 | 9.4049; 12.7739; 8.5805 90; 112.796; 90 | 950.32 | Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B, 2005, 109, 11893-11899 |
| 1506391 | CIF | C33 H44 N7 O8 | P -1 | 11.839; 12.637; 12.977 96.936; 100.902; 114.716 | 1687.8 | Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Magnetic phase transition in a heteromolecular hydrogen-bonded complex of nitronylnitroxide radicals. The journal of physical chemistry. B, 2005, 109, 9195-9197 |
| 1506392 | CIF | C36 H26 S2 Si | P 1 21 1 | 9.878; 9.84; 29.591 90; 90.29; 90 | 2876.2 | Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole. The journal of physical chemistry. B, 2005, 109, 17086-17093 |
| 1506393 | CIF | C20 H11 I N5 Ni S4 | P 1 21/a 1 | 7.565; 26.64; 12 90; 102.64; 90 | 2360 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506394 | CIF | C20 H11 I N5 Ni S4 | P -1 | 7.3869; 11.886; 26.181 88.57; 87.29; 77.27 | 2239.4 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506395 | CIF | C20 H11 Cu I N5 S4 | P 1 21/c 1 | 11.984; 26.524; 7.6252 90; 102.61; 90 | 2365.3 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506396 | CIF | C20 H11 Cu I N5 S4 | P 1 21/c 1 | 11.883; 26.373; 7.473 90; 102.34; 90 | 2287.9 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506397 | CIF | C12 H10 Cl N3 O4 | P 1 21/c 1 | 9.9583; 5.7946; 23.2137 90; 101.697; 90 | 1311.71 | Naumov, Pance; Sakurai, Kenji; Ishikawa, Tadahiko; Takahashi, Junichi; Koshihara, Shin-ya; Ohashi, Yuji Intramolecular nitro-assisted proton transfer in photoirradiated 2-(2',4'-dinitrobenzyl)pyridine: polarized optical spectroscopic study and electronic structure calculations. The journal of physical chemistry. A, 2005, 109, 7264-7275 |
| 1506398 | CIF | C9 H13 Cl4 Nb O | P -1 | 7.0665; 7.1523; 13.3112 76.813; 86.607; 69.37 | 612.86 | Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W. Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes. The journal of physical chemistry. A, 2005, 109, 7073-7087 |
| 1506399 | CIF | C7 H5 B F3 N | P n m a | 17.404; 8.678; 4.856 90; 90; 90 | 733.4 | Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P. Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations. The journal of physical chemistry. A, 2005, 109, 8199-8208 |
| 1506400 | CIF | C15 H11 B F2 N2 | C 1 2/c 1 | 6.2841; 20.7345; 9.9453 90; 103.559; 90 | 1259.73 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506401 | CIF | C19 H19 B F2 N2 | P 21 21 21 | 9.123; 11.4591; 15.5695 90; 90; 90 | 1627.7 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506402 | CIF | C16 H13 B F2 N2 | P 1 21/c 1 | 7.4173; 16.0251; 11.7943 90; 102.881; 90 | 1366.63 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506403 | CIF | C18 H17 B F2 N2 | P b c a | 16.7533; 10.6616; 17.2351 90; 90; 90 | 3078.48 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506404 | CIF | C20 H23 B N2 | P n a 21 | 16.8983; 13.5687; 7.4844 90; 90; 90 | 1716.08 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506405 | CIF | C49 H39 B Cu F4 N3 P2 | P -1 | 10.764; 12.387; 16.56 87.73; 76.22; 80.64 | 2115.9 | Waterland, Mark R.; Howell, Sarah L.; Gordon, Keith C.; Burrell, Anthony K. Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)2]+ probed by resonance Raman spectroscopy and density functional theory. The journal of physical chemistry. A, 2005, 109, 8826-8833 |
| 1506406 | CIF | C7 H15 F3 Li N O3 S | P 1 21/c 1 | 5.1842; 15.379; 15.8877 90; 98.11; 90 | 1254.02 | Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B, 2005, 109, 20697-20706 |
| 1506407 | CIF | C14 H30 F6 Li2 N2 O6 S2 | P b c a | 8.6035; 10.008; 28.521 90; 90; 90 | 2455.8 | Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B, 2005, 109, 20697-20706 |
| 1506408 | CIF | C10 H14 N2 O2 S | F d d 2 | 24.37; 31.908; 5.941 90; 90; 90 | 4620 | Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores. The journal of physical chemistry. B, 2005, 109, 18378-18384 |
| 1506409 | CIF | C10 H10 N4 | P 1 21/c 1 | 6.67; 11.506; 12.975 90; 114.56; 90 | 905.7 | Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji Photochromism of 2-(phenylazo)imidazoles. The journal of physical chemistry. A, 2005, 109, 8064-8069 |
| 1506410 | CIF | Al2 D3.26 Na2 O12 Si3 | F d d 2 | 18.2933; 18.6282; 6.5839 90; 90; 90 | 2243.6 | Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B, 2005, 109, 18223-18225 |
| 1506411 | CIF | V | I m -3 m | 3.0273; 3.0273; 3.0273 90; 90; 90 | 27.744 | Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B, 2005, 109, 18223-18225 |
| 1506412 | CIF | C37 H32 | P -1 | 11.272; 14.504; 17.102 84.537; 86.253; 81.33 | 2747.8 | Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A, 2005, 109, 11650-11654 |
| 1506413 | CIF | C37 H32 | P 1 21 1 | 12.221; 17.921; 13.524 90; 107.82; 90 | 2819.8 | Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A, 2005, 109, 11650-11654 |
| 1506414 | CIF | C12 H7 Br N2 O2 | P 21 21 21 | 7.483; 7.636; 18.212 90; 90; 90 | 1040.6 | Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen. The journal of physical chemistry. A, 2005, 109, 9443-9455 |
| 1506415 | CIF | C36 H51 N7 | P 1 21/a 1 | 9.2709; 32.431; 11.698 90; 110.714; 90 | 3289.8 | Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad. The journal of physical chemistry. A, 2005, 109, 11715-11723 |
| 1506416 | CIF | C30 H34 Cl2 Co P2 | P 1 21/n 1 | 11.082; 16.191; 17.047 90; 99.607; 90 | 3015.8 | Ricci, Giovanni; Forni, Alessandra; Boglia, Aldo; Motta, Tiziano; Zannoni, Giulio; Canetti, Maurizio; Bertini, Fabio Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When Used in Association with MAO Macromolecules, 2005, 38, 1064 |
| 1506417 | CIF | C20 H16 Fe | P 1 21/c 1 | 8.968; 5.734; 28.003 90; 91.61; 90 | 1439.4 | Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes Macromolecules, 2005, 38, 2564 |
| 1506418 | CIF | C23 H22 Fe | P 1 21/c 1 | 14.1201; 15.719; 8.0672 90; 105.144; 90 | 1728.36 | Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes Macromolecules, 2005, 38, 2564 |
| 1506419 | CIF | C18 H10 N2 S | P 1 21/n 1 | 9.5; 8.508; 17.267 90; 99.991; 90 | 1374.5 | Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties Macromolecules, 2005, 38, 4687 |
| 1506420 | CIF | C20 H10 N2 O4 S | P 1 21/n 1 | 10.337; 13.479; 12.811 90; 105.307; 90 | 1721.7 | Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties Macromolecules, 2005, 38, 4687 |
| 1506421 | CIF | C34 H38 Cl2 Zr | C 1 2/c 1 | 18.901; 6.512; 23.87 90; 94.54; 90 | 2928.8 | Losio, Simona; Zecchi, Gaetano; Bertini, Fabio; Sacchi, Maria Carmela; Bertolasi, Valerio; Polo, Eleonora Unbridged Zirconium and Titanium Metallocenes with Seven- or Eight-Saturated Fused-Ring Ligands: a Route for the Synthesis of Stereoblock Polypropene Macromolecules, 2005, 38, 7231 |
| 1506422 | CIF | C42 H69 Li O5 | P 1 21 1 | 10.2275; 18.585; 11.7291 90; 106.401; 90 | 2138.7 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506423 | CIF | C37 H44 Li O3 | P 1 21/n 1 | 13.1173; 17.4528; 15.436 90; 92.546; 90 | 3530.3 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506424 | CIF | C45 H69 Li O5 | P 21 21 21 | 11.9852; 18.9242; 19.5947 90; 90; 90 | 4444.3 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506425 | CIF | C24 H26 Cl6 N2 O4 Sn | P 21 21 21 | 12.901; 13.359; 16.323 90; 90; 90 | 2813 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506426 | CIF | C28 H26 Cl6 N2 O3.79 Sn | P 1 21/n 1 | 13.713; 14.784; 15.649 90; 107.852; 90 | 3019.8 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506427 | CIF | C24 H23 Cl N2 O2 Sn | P 1 21/c 1 | 14.276; 13.93; 10.985 90; 94.388; 90 | 2178.1 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506428 | CIF | C66 H70 N4 O8 Zn3 | P -1 | 11.2879; 11.5445; 25.113 89.141; 84.148; 76.224 | 3161.7 | Chen, Hsuan-Ying; Huang, Bor-Hunn; Lin, Chu-Chieh A Highly Efficient Initiator for the Ring-Opening Polymerization of Lactides and ε-Caprolactone: A Kinetic Study Macromolecules, 2005, 38, 5400 |
| 1506429 | CIF | C39 H66 N6 Si2 Zr2 | P -1 | 8.9759; 15.427; 17.37 67.867; 77.698; 85.178 | 2176.8 | Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J. Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization Macromolecules, 2005, 38, 9015 |
| 1506430 | CIF | C32 H35 Cl2 N Si Zr | P -1 | 8.5953; 12.7328; 13.3145 71.863; 76.856; 87.035 | 1348.2 | Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J. Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization Macromolecules, 2005, 38, 9015 |
| 1506431 | CIF | C27 H31 N O Zr | P 1 21/c 1 | 16.3387; 7.565; 36.764 90; 94.242; 90 | 4531.7 | Mariott, Wesley R.; Chen, Eugene Y.-X. Mechanism and Scope of Stereospecific, Coordinative-Anionic Polymerization of Acrylamides by Chiral Zirconocenium Ester and Amide Enolates Macromolecules, 2005, 38, 6822 |
| 1506432 | CIF | C41 H24 Cl2 F6 O4 | C 1 2/n 1 | 28.15; 7.284; 18.04 90; 113.028; 90 | 3404 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506433 | CIF | C45 H32 O6 S | P 1 21/n 1 | 11.403; 18.815; 17.273 90; 106.63; 90 | 3550.9 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506434 | CIF | C39 H22 O6 | P -1 | 10.567; 15.223; 20.307 99.62; 103.81; 107.69 | 2919 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506435 | CIF | C37 H25 Cl3 O8 S3 | P -1 | 11.205; 12.963; 13.453 106.622; 95.431; 99.434 | 1826 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506436 | CIF | C39 H30 O8 S3 | P 1 21/c 1 | 11.092; 23.35; 13.887 90; 107.061; 90 | 3438 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506437 | CIF | C39 H24 Cl6 O8 S2 | P 1 21/n 1 | 15; 11.01; 24.89 90; 106.735; 90 | 3936 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506438 | CIF | C41 H46 Br2 O3 | P -1 | 8.3399; 10.5004; 20.9724 86.567; 83.373; 74.01 | 1752.99 | Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)] Macromolecules, 2005, 38, 10055 |
| 1506439 | CIF | C20 H30 O6 | P 21 21 21 | 9.5032; 11.2533; 19.2625 90; 90; 90 | 2059.98 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506440 | CIF | C19 H28 O6 | P 21 21 21 | 9.039; 14.621; 14.866 90; 90; 90 | 1964.7 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506441 | CIF | C19 H28 O7 | P 21 21 21 | 9.698; 13.617; 14.946 90; 90; 90 | 1973.7 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506442 | CIF | C15 H24 O2 | P 21 21 21 | 5.441; 14.886; 17.243 90; 90; 90 | 1396.6 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506443 | CIF | C16 H16 O7 | P 1 21/n 1 | 16.525; 7.74; 12.559 90; 110.18; 90 | 1507.7 | Angawi, Rihab F.; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T. Malettinins B-D: new polyketide metabolites from an unidentified fungal colonist of Hypoxylon Stromata (NRRL 29110). Journal of natural products, 2005, 68, 212-216 |
| 1506444 | CIF | C28 H49 N O4 | P 21 21 21 | 11.213; 14.543; 16.498 90; 90; 90 | 2690.3 | Jiang, Yan; Li, Huijun; Li, Ping; Cai, Zhaohui; Ye, Wencai Steroidal alkaloids from the bulbs of Fritillaria puqiensis. Journal of natural products, 2005, 68, 264-267 |
| 1506445 | CIF | C24 H40 Br4 O2 | P 1 21/c 1 | 10.5953; 11.4554; 11.5796 90; 108.903; 90 | 1329.66 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506446 | CIF | C24 H36 O2 | P 1 21/c 1 | 40.0257; 7.4849; 15.0438 90; 100.68; 90 | 4428.88 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506447 | CIF | C24 H36 O2 | P n a 21 | 15.0286; 7.485; 39.3182 90; 90; 90 | 4422.87 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506448 | CIF | C16 H20 S6 | P 1 21/n 1 | 9.0844; 11.8406; 9.8502 90; 113.063; 90 | 974.85 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506449 | CIF | C16 H20 S6 | P -1 | 9.4288; 10.8171; 11.4266 107.53; 113.144; 98.332 | 974.7 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506450 | CIF | C5 H6 S3 | P n m a | 10.2496; 6.7971; 10.6545 90; 90; 90 | 742.27 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506451 | CIF | C7 H11 Cl2 I S3 | P n m a | 17.2213; 7.005; 11.4894 90; 90; 90 | 1386.03 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506452 | CIF | C6 H9 I S3 | P -1 | 6.5122; 7.7517; 11.2286 74.596; 83.282; 74.962 | 527.05 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
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