Crystallography Open Database
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Result : There are 24550 entries in the selection
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Searching year of publication is 2011
| COD ID: 1501461 | |
| CIF file | Formula: - Fe2 K0.8 Se1.96 - Comments: Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K. Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K Journal of Physics: Condensed Matter 23 (2011) 1-4 Space group: I 4/m m m Cell volume: 216.013 Cell parameters: 3.9092; 3.9092; 14.1353; 90; 90; 90; |
| COD ID: 1501462 | |
| CIF file | Formula: - Cs0.8 Fe2 Se1.96 - Comments: Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K. Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K Journal of Physics: Condensed Matter 23 (2011) 1-4 Space group: I 4/m m m Cell volume: 239.699 Cell parameters: 3.9601; 3.9601; 15.2846; 90; 90; 90; |
| COD ID: 1501463 | |
| CIF file | Formula: - Fe7 Mo6 - Comments: Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system Physical Review B 83(18) (2011) 184201 Space group: R -3 m :H Cell volume: 505.992 Cell parameters: 4.7402; 4.7402; 26.0028; 90; 90; 120; |
| COD ID: 1501464 | |
| CIF file | Formula: - Fe2 Mo - Comments: Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system Physical Review B 83(18) (2011) 184201 Space group: P 63/m m c Cell volume: 145.585 Cell parameters: 4.6594; 4.6594; 7.7433; 90; 90; 120; |
| COD ID: 1501471 | |
| CIF file | Formula: - C45 H35 Cd Cl N4 O7 - Comments: Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications 47(37) (2011) 10431-10433 Space group: P 1 21/n 1 Cell volume: 3905.89 Cell parameters: 11.4616; 16.3861; 20.877; 90; 95.0205; 90; |
| COD ID: 1501472 | |
| CIF file | Formula: - C45 H35 Cl Hg N4 O7 - Comments: Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications 47(37) (2011) 10431-10433 Space group: P 1 21/n 1 Cell volume: 3905.65 Cell parameters: 11.4117; 16.3761; 20.9794; 90; 95.007; 90; |
| COD ID: 1501473 | |
| CIF file | Formula: - C45 H35 F3 N4 O7 S Zn - Comments: Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications 47(37) (2011) 10431-10433 Space group: P 1 21/c 1 Cell volume: 4016.34 Cell parameters: 10.1785; 16.3337; 24.162; 90; 91.037; 90; |
| COD ID: 1501474 | |
| CIF file | Formula: - C46 H38 Cd Cl N5 O8 - Comments: Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications 47(37) (2011) 10431-10433 Space group: P -1 Cell volume: 2075.18 Cell parameters: 13.2066; 13.243; 14.306; 102.54; 116.809; 99.7178; |
| COD ID: 1501546 | |
| CIF file | Formula: - C17 H26 N6 O2 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: P -1 Cell volume: 898.59 Cell parameters: 8.0471; 10.3951; 11.689; 67.342; 85.03; 89.545; |
| COD ID: 1501547 | |
| CIF file | Formula: - C28 H40 N6 O4 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: C 1 2/c 1 Cell volume: 5649.8 Cell parameters: 50.606; 7.9595; 14.0826; 90; 95.126; 90; |
| COD ID: 1501548 | |
| CIF file | Formula: - C24 H40 N6 O4 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: P -1 Cell volume: 672.43 Cell parameters: 4.8615; 7.4585; 19.034; 83.881; 84.671; 79.308; |
| COD ID: 1501549 | |
| CIF file | Formula: - C26 H44 N6 O4 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: P -1 Cell volume: 2119.1 Cell parameters: 7.5805; 11.1838; 25.627; 94.378; 92.854; 101.374; |
| COD ID: 1501550 | |
| CIF file | Formula: - C16 H24 N6 O2 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: P -1 Cell volume: 853.62 Cell parameters: 8.8653; 9.4282; 10.7014; 104.685; 90.861; 98.832; |
| COD ID: 1501551 | |
| CIF file | Formula: - C32 H48 N6 O4 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: C 1 2/c 1 Cell volume: 6389.6 Cell parameters: 58.554; 7.9545; 14.0407; 90; 102.299; 90; |
| COD ID: 1501602 | |
| CIF file | Formula: - C14 H10 F N - Comments: Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V. Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles. Organic letters 13(20) (2011) 5592-5595 Space group: P n m a Cell volume: 1047.2 Cell parameters: 8.2094; 21.264; 5.9988; 90; 90; 90; |
| COD ID: 1501627 | |
| CIF file | Formula: - C30 H40 In N3 O14 - Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19 Space group: P 42/m m c Cell volume: 2645.12 Cell parameters: 9.9532; 9.9532; 26.7005; 90; 90; 90; |
| COD ID: 1501628 | |
| CIF file | Formula: - C32 H38 In N3 O12 - Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19 Space group: P 42/m m c Cell volume: 2654.3 Cell parameters: 9.9617; 9.9617; 26.747; 90; 90; 90; |
| COD ID: 1501629 | |
| CIF file | Formula: - C30 H36 F4 In N3 O14 - Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19 Space group: I 41/a c d :2 Cell volume: 20971 Cell parameters: 19.807; 19.807; 53.454; 90; 90; 90; |
| COD ID: 1501630 | |
| CIF file | Formula: - C34 H36 In N3 O12 - Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19 Space group: P 42/m m c Cell volume: 2654.3 Cell parameters: 9.9617; 9.9617; 26.747; 90; 90; 90; |
| COD ID: 1501634 | |
| CIF file | Formula: - C26 H26 N2 O2 S - Comments: M. Amine Fourati; Thierry Maris; William G. Skene; C. Géraldine Bazuin; Robert E. Prud'homme Photophysical, Electrochemical and Crystallographic Investigations of the Fluorophore 2,5-Bis(5-tert-butyl-benzoxazol-2-yl)thiophene The Journal of Physical Chemistry B 115 (2011) 12362-12369 Space group: P 1 21/n 1 Cell volume: 2264.84 Cell parameters: 17.9167; 6.2563; 21.1871; 90; 107.512; 90; |
| COD ID: 1501635 | |
| CIF file | Formula: - C25 H12 Br4 - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: A b a 2 Cell volume: 2290.1 Cell parameters: 10.0693; 13.9976; 16.2481; 90; 90; 90; |
| COD ID: 1501636 | |
| CIF file | Formula: - C29 H16 Br16 - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: P 42/n :2 Cell volume: 1979.07 Cell parameters: 13.5519; 13.5519; 10.7761; 90; 90; 90; |
| COD ID: 1501637 | |
| CIF file | Formula: - C27 H18 Br6 - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: P 1 21/n 1 Cell volume: 5344.9 Cell parameters: 19.2957; 13.8813; 20.0269; 90; 94.857; 90; |
| COD ID: 1501638 | |
| CIF file | Formula: - C26 H18 Br2 - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: P 1 21/n 1 Cell volume: 2087.52 Cell parameters: 10.384; 17.969; 11.188; 90; 90.38; 90; |
| COD ID: 1501639 | |
| CIF file | Formula: - C27 H21 Br - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: P 1 21/n 1 Cell volume: 2059.18 Cell parameters: 10.4523; 17.8465; 11.039; 90; 90.004; 90; |
| COD ID: 1501640 | |
| CIF file | Formula: - C26 H18 Br4 Cl2 N4 - Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369 Space group: C 1 2/c 1 Cell volume: 5509 Cell parameters: 17.865; 19.788; 16.886; 90; 112.641; 90; |
| COD ID: 1501641 | |
| CIF file | Formula: - C5 H12 Ag N O3 S2 - Comments: Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh Synthesis, crystal structures and thermal analysis of two new coordination polymers. Comptes Rendus Chimie 14 (2011) 991-996 Space group: P 1 21/c 1 Cell volume: 980.25 Cell parameters: 8.3329; 6.9106; 17.068; 90; 94.18; 90; |
| COD ID: 1501642 | |
| CIF file | Formula: - C16 H24 Ag2 F10 O4 S4 - Comments: Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh Synthesis, crystal structures and thermal analysis of two new coordination polymers. Comptes Rendus Chimie 14 (2011) 991-996 Space group: P 1 21/n 1 Cell volume: 2599.43 Cell parameters: 8.003; 20.5242; 15.8557; 90; 93.532; 90; |
| COD ID: 1501644 | |
| CIF file | Formula: - C17 H26 N6 O2 - Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919 Space group: P -1 Cell volume: 1794.6 Cell parameters: 10.3277; 13.405; 13.648; 92.13; 106.824; 95.885; |
| COD ID: 1501649 | |
| CIF file | Formula: - C44 H72 Eu K N12 O12 Ru2 - Comments: Chow, Cheuk-Fai; Kong, Hoi-Kuan; Leung, Shu-Wai; Chiu, Brenda K. W.; Koo, Chi-Kin; Lei, Elva N. Y.; Lam, Michael H. W.; Wong, Wing-Tak; Wong, Wai-Yeung Heterobimetallic Ru(II)-Eu(III) complex as chemodosimeter for selective biogenic amine odorants detection in fish sample. Analytical chemistry 83(1) (2011) 289-296 Space group: P 1 21/n 1 Cell volume: 5890 Cell parameters: 10.516; 13.136; 42.764; 90; 94.45; 90; |
| COD ID: 1501650 | |
| CIF file | Formula: - C23 H13 N3 O4 - Comments: Vaiyapuri, Rajendran; Greenland, Barnaby W.; Elliott, Joanne M.; Hayes, Wayne; Bennett, Roger A.; Cardin, Christine J.; Colquhoun, Howard M.; Etman, Haitham; Murray, Claire A. Pyrene-modified quartz crystal microbalance for the detection of polynitroaromatic compounds. Analytical chemistry 83(16) (2011) 6208-6214 Space group: P 1 21/n 1 Cell volume: 1789.23 Cell parameters: 10.8636; 14.0746; 12.4274; 90; 109.674; 90; |
| COD ID: 1501651 | |
| CIF file | Formula: - C15 H20 B10 Fe O S2 - Comments: Wu, Chunhui; Ye, Hongde; Bai, Wenjuan; Li, Qingning; Guo, Dadong; Lv, Gang; Yan, Hong; Wang, Xuemei New potential anticancer agent of carborane derivatives: selective cellular interaction and activity of ferrocene-substituted dithio-o-carborane conjugates. Bioconjugate chemistry 22(1) (2011) 16-25 Space group: P 1 21/c 1 Cell volume: 2055.8 Cell parameters: 13.874; 20.663; 7.3166; 90; 101.44; 90; |
| COD ID: 1501652 | |
| CIF file | Formula: - C19 H27 Al F N3 O7 - Comments: D'Souza, Christopher A; McBride, William J.; Sharkey, Robert M.; Todaro, Louis J.; Goldenberg, David M. High-yielding aqueous 18F-labeling of peptides via Al18F chelation. Bioconjugate chemistry 22(9) (2011) 1793-1803 Space group: P 1 21/c 1 Cell volume: 2103.9 Cell parameters: 20.463; 8.495; 12.692; 90; 107.52; 90; |
| COD ID: 1501653 | |
| CIF file | Formula: - C14 H10 N2 O2 - Comments: 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 7(6) (2011) 1882 Space group: C 1 2/c 1 Cell volume: 2180.6 Cell parameters: 13.0342; 12.2529; 13.7875; 90; 97.983; 90; |
| COD ID: 1501654 | |
| CIF file | Formula: - B5 H4 K0.99 O10 - Comments: 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 45(21) (2011) 9457-9463 Space group: P 1 21/c 1 Cell volume: 797.11 Cell parameters: 9.4619; 7.4691; 11.374; 90; 97.412; 90; |
| COD ID: 1501655 | |
| CIF file | Formula: - C5 H13 N3 O2 - Comments: 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 50(5) (2011) 2822 Space group: P 1 21/c 1 Cell volume: 730.66 Cell parameters: 8.8542; 8.1328; 10.5772; 90; 106.403; 90; |
| COD ID: 1501656 | |
| CIF file | Formula: - C36 H26 Co N15 O - Comments: 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 56(7) (2011) 3043 Space group: P -1 Cell volume: 1628.5 Cell parameters: 10.323; 11.261; 16.139; 89.022; 71.794; 66.99; |
| COD ID: 1501657 | |
| CIF file | Formula: - C16 H20 N4 O2 S - Comments: 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 59(2) (2011) 628-634 Space group: P 1 21/c 1 Cell volume: 1680.4 Cell parameters: 11.724; 9.2465; 15.567; 90; 95.26; 90; |
| COD ID: 1501658 | |
| CIF file | Formula: - C16 H13 Cl3 N6 O2 - Comments: 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 59(19) (2011) 10615-10623 Space group: P 1 21/c 1 Cell volume: 1818.8 Cell parameters: 16.4438; 10.2569; 11.1264; 90; 104.256; 90; |
| COD ID: 1501659 | |
| CIF file | Formula: - C18 H19 Cl N6 O2 - Comments: 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 59(19) (2011) 10615-10623 Space group: P 1 21/c 1 Cell volume: 1840.9 Cell parameters: 15.867; 7.9286; 15.923; 90; 113.221; 90; |
| COD ID: 1501660 | |
| CIF file | Formula: - C26 H26 N2 O2 - Comments: 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 54(8) (2011) 2738-2744 Space group: P 21 21 21 Cell volume: 2162.3 Cell parameters: 11.2339; 11.6808; 16.4783; 90; 90; 90; |
| COD ID: 1501661 | |
| CIF file | Formula: - C46 H36 Br4 N2 O7 - Comments: 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 54(12) (2011) 4234-4246 Space group: P 21 21 21 Cell volume: 4364.2 Cell parameters: 8.6598; 21.3183; 23.6397; 90; 90; 90; |
| COD ID: 1501662 | |
| CIF file | Formula: - C18 H18 N4 O4 S - Comments: 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 54(16) (2011) 5878-5889 Space group: P 1 21/n 1 Cell volume: 3498.5 Cell parameters: 13.6739; 17.3161; 14.9225; 90; 98.051; 90; |
| COD ID: 1501663 | |
| CIF file | Formula: - C16 H14 N4 O S - Comments: 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 54(16) (2011) 5878-5889 Space group: P 1 21/c 1 Cell volume: 1438.97 Cell parameters: 16.7856; 5.4114; 16.1237; 90; 100.73; 90; |
| COD ID: 1501664 | |
| CIF file | Formula: - C17 H24 Br N O4 Si - Comments: 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 54(21) (2011) 7493-7502 Space group: P 21 21 21 Cell volume: 2009.1 Cell parameters: 6.5913; 15.0012; 20.319; 90; 90; 90; |
| COD ID: 1501665 | |
| CIF file | Formula: - C18 H17 Cl2 F N4 O - Comments: 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 54(16) (2011) 5660-5670 Space group: P 1 21/c 1 Cell volume: 1817.1 Cell parameters: 8.1141; 10.4273; 22.6565; 90; 108.576; 90; |
| COD ID: 1501666 | |
| CIF file | Formula: - C21 H30 F3 N O3 - Comments: 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 54(22) (2011) 7934-7941 Space group: P 21 21 21 Cell volume: 2026.65 Cell parameters: 8.1766; 10.4313; 23.7612; 90; 90; 90; |
| COD ID: 1501667 | |
| CIF file | Formula: - C24 H21 Cl N4 O6 - Comments: 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 54(24) (2011) 8582-8591 Space group: P -1 Cell volume: 1259.3 Cell parameters: 9.0566; 12.7489; 12.9111; 110.172; 103.14; 105.713; |
| COD ID: 1501668 | |
| CIF file | Formula: - C42 H48 Cl Eu N2 O11 - Comments: 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 115(5) (2011) 2332 Space group: P -1 Cell volume: 2121.92 Cell parameters: 12.1445; 13.1978; 14.8062; 110.115; 106.619; 90.128; |
| COD ID: 1501669 | |
| CIF file | Formula: - C97 H69 Cl5 N4 O4 Sn - Comments: 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 115(6) (2011) 986-997 Space group: P 1 21/n 1 Cell volume: 15786 Cell parameters: 25.106; 16.854; 37.347; 90; 92.653; 90; |
| COD ID: 1501670 | |
| CIF file | Formula: - C100 H80 N4 O8 Sn - Comments: 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 115(6) (2011) 986-997 Space group: P -1 Cell volume: 1941.03 Cell parameters: 11.4345; 12.6971; 14.1793; 103.943; 101.911; 93.6347; |
| COD ID: 1501671 | |
| CIF file | Formula: - C14 H22 N6 O8 S6 - Comments: 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 115(12) (2011) 3020-3026 Space group: P -1 Cell volume: 1191.02 Cell parameters: 5.1965; 10.0137; 23.4643; 94.749; 92.033; 101.423; |
| COD ID: 1501672 | |
| CIF file | Formula: - C22 H32 N4 O15 S6 - Comments: 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 115(12) (2011) 3020-3026 Space group: P 1 21/n 1 Cell volume: 3410 Cell parameters: 8.261; 43.783; 9.625; 90; 101.617; 90; |
| COD ID: 1501673 | |
| CIF file | Formula: - C16 H30 N4 O8 S8 - Comments: 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 115(12) (2011) 3020-3026 Space group: P c a 21 Cell volume: 2787 Cell parameters: 11.432; 24.09; 10.121; 90; 90; 90; |
| COD ID: 1501674 | |
| CIF file | Formula: - C5 H11 F3 N2 - Comments: 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 115(10) (2011) 4324 Space group: P -1 Cell volume: 373.9 Cell parameters: 7.357; 8.151; 8.444; 59.374; 61.691; 65.709; |
| COD ID: 1501675 | |
| CIF file | Formula: - C5 H12 F4 N2 - Comments: 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 115(10) (2011) 4324 Space group: P 1 21/n 1 Cell volume: 863.17 Cell parameters: 5.598; 10.6076; 14.5523; 90; 92.713; 90; |
| COD ID: 1501676 | |
| CIF file | Formula: - C56.75 H87 N2 O8.75 P2 S2 - Comments: 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 115(21) (2011) 6922-6934 Space group: P -1 Cell volume: 6039.05 Cell parameters: 16.4633; 18.7981; 21.8791; 94.8166; 93.3602; 115.825; |
| COD ID: 1501677 | |
| CIF file | Formula: - C57 H86 Cl2 N2 O8 P2 S2 - Comments: 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 115(21) (2011) 6922-6934 Space group: P 1 21/n 1 Cell volume: 5866.2 Cell parameters: 12.773; 19.556; 23.982; 90; 101.691; 90; |
| COD ID: 1501678 | |
| CIF file | Formula: - C58 H87 Ag Cl2 N3 Na O16 P2 S2 - Comments: 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 115(21) (2011) 6922-6934 Space group: P -1 Cell volume: 3333.5 Cell parameters: 11.91; 16.698; 18.973; 98.27; 104.48; 109.57; |
| COD ID: 1501679 | |
| CIF file | Formula: - C64 H104 O24 P8 S8 - Comments: 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 115(21) (2011) 6922-6934 Space group: P -1 Cell volume: 4299.21 Cell parameters: 12.6039; 17.4686; 21.7674; 71.24; 80.801; 71.7; |
| COD ID: 1501680 | |
| CIF file | Formula: - C50 H46 N4 O4 S4 - Comments: 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 115(5) (2011) 2592 Space group: P 1 21/c 1 Cell volume: 4433 Cell parameters: 17.756; 21.9782; 11.5593; 90; 100.667; 90; |
| COD ID: 1501681 | |
| CIF file | Formula: - C196 H128 Cl8 - Comments: 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 115(11) (2011) 4872 Space group: P 1 21/c 1 Cell volume: 3704.5 Cell parameters: 11.849; 17.35; 21.055; 90; 121.146; 90; |
| COD ID: 1501682 | |
| CIF file | Formula: - C17 H16 N2 O3 V - Comments: 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 115(26) (2011) 8465-8473 Space group: P 21 21 21 Cell volume: 1545.1 Cell parameters: 11.905; 17.238; 7.529; 90; 90; 90; |
| COD ID: 1501683 | |
| CIF file | Formula: - C14 H10 O2 - Comments: 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 115(13) (2011) 3588-3603 Space group: P 21 21 21 Cell volume: 1027.4 Cell parameters: 8.1037; 10.127; 12.519; 90; 90; 90; |
| COD ID: 1501684 | |
| CIF file | Formula: - B10 H30 Mg O10 - Comments: 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 115(23) (2011) 11793 Space group: C 1 2/c 1 Cell volume: 3641.1 Cell parameters: 14.22; 16.974; 15.099; 90; 92.46; 90; |
| COD ID: 1501685 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 223.032 Cell parameters: 8.2039; 5.99673; 4.5435; 90; 93.8032; 90; |
| COD ID: 1501686 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 223.327 Cell parameters: 8.20987; 5.99729; 4.54601; 90; 93.8491; 90; |
| COD ID: 1501687 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 223.67 Cell parameters: 8.21673; 5.99825; 4.54871; 90; 93.8929; 90; |
| COD ID: 1501688 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 223.978 Cell parameters: 8.22307; 5.99899; 4.55113; 90; 93.9367; 90; |
| COD ID: 1501689 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 224.265 Cell parameters: 8.22913; 5.99941; 4.55352; 90; 93.9808; 90; |
| COD ID: 1501690 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 224.566 Cell parameters: 8.23546; 5.99997; 4.55596; 90; 94.0251; 90; |
| COD ID: 1501691 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 224.858 Cell parameters: 8.24185; 6.00052; 4.55819; 90; 94.071; 90; |
| COD ID: 1501692 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 225.206 Cell parameters: 8.24909; 6.00107; 4.56111; 90; 94.1234; 90; |
| COD ID: 1501693 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 225.511 Cell parameters: 8.25578; 6.00157; 4.56351; 90; 94.1741; 90; |
| COD ID: 1501694 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 225.833 Cell parameters: 8.26299; 6.00194; 4.56608; 90; 94.2299; 90; |
| COD ID: 1501695 | |
| CIF file | Formula: - C2 H8 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 1 21/m 1 Cell volume: 226.148 Cell parameters: 8.26972; 6.00243; 4.56867; 90; 94.2836; 90; |
| COD ID: 1501696 | |
| CIF file | Formula: - C2 Cl N - Comments: 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 115(17) (2011) 4887-4899 Space group: P 4/n m m :2 Cell volume: 255.008 Cell parameters: 5.05111; 5.05111; 9.99493; 90; 90; 90; |
| COD ID: 1501697 | |
| CIF file | Formula: - C21 H25 N Si - Comments: 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 115(22) (2011) 11265 Space group: P -1 Cell volume: 1865 Cell parameters: 10.7935; 11.3034; 16.2004; 107.802; 93.422; 95.478; |
| COD ID: 1501698 | |
| CIF file | Formula: - C27 H26 F3 N Si - Comments: 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 115(22) (2011) 11265 Space group: P 21 21 21 Cell volume: 2411 Cell parameters: 8.0586; 14.782; 20.24; 90; 90; 90; |
| COD ID: 1501699 | |
| CIF file | Formula: - C36 H42 N O4 Sb - Comments: 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 115(29) (2011) 8271-8281 Space group: P 1 21/n 1 Cell volume: 3235.8 Cell parameters: 13.5746; 15.9506; 15.0855; 90; 97.841; 90; |
| COD ID: 1501700 | |
| CIF file | Formula: - C37 H45 N2 O3 Sb - Comments: 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 115(29) (2011) 8271-8281 Space group: P -1 Cell volume: 1597.88 Cell parameters: 10.0526; 11.8361; 14.5638; 88.56; 82.17; 68.61; |
| COD ID: 1501701 | |
| CIF file | Formula: - C46 H58 N8 O6 Si7 - Comments: 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 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 2630.5 Cell parameters: 9.3149; 26.6012; 11.3777; 90; 111.083; 90; |
| COD ID: 1501702 | |
| CIF file | Formula: - C78 H74 N16 O7 Si8 - Comments: 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 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 8018.4 Cell parameters: 13.1488; 22.8889; 27.0083; 90; 99.438; 90; |
| COD ID: 1501703 | |
| CIF file | Formula: - C110 H90 N24 O8 Si9 - Comments: 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 115(45) (2011) 12474-12485 Space group: P -1 Cell volume: 2614 Cell parameters: 13.421; 14.371; 14.662; 85.17; 68.66; 83.53; |
| COD ID: 1501704 | |
| CIF file | Formula: - C149 H114 N32 O9 Si10 - Comments: 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 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 13131.1 Cell parameters: 13.6979; 26.0454; 36.932; 90; 94.737; 90; |
| COD ID: 1501705 | |
| CIF file | Formula: - C50 H42 N4 O4 - Comments: Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A 115(18) (2011) 4650-4656 Space group: P 1 21/c 1 Cell volume: 3830.8 Cell parameters: 14.214; 20.356; 13.807; 90; 106.48; 90; |
| COD ID: 1501706 | |
| CIF file | Formula: - C52 H44 Cl6 N4 O4 - Comments: Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A 115(18) (2011) 4650-4656 Space group: P -1 Cell volume: 2342.3 Cell parameters: 12.8243; 13.389; 15.859; 79.107; 75.49; 63.12; |
| COD ID: 1501707 | |
| CIF file | Formula: - C54 H52 N2 S2 - Comments: 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 115(23) (2011) 7606-7611 Space group: P -1 Cell volume: 2054.4 Cell parameters: 5.7587; 17.681; 21.772; 111.793; 91.7; 92.295; |
| COD ID: 1501708 | |
| CIF file | Formula: - C10 H13 N3 O2 S - Comments: 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 115(45) (2011) 12512-12522 Space group: P b c a Cell volume: 2293.06 Cell parameters: 11.0859; 13.0805; 15.8132; 90; 90; 90; |
| COD ID: 1501709 | |
| CIF file | Formula: - C16 H18 Cl2 N4 O11 - Comments: 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 115(29) (2011) 8234-8241 Space group: P 1 21/c 1 Cell volume: 2092.07 Cell parameters: 16.8233; 6.6778; 18.9912; 90; 101.312; 90; |
| COD ID: 1501710 | |
| CIF file | Formula: - C11 H11 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P 1 21/n 1 Cell volume: 1703 Cell parameters: 11.2891; 12.2491; 12.4087; 90; 97.027; 90; |
| COD ID: 1501711 | |
| CIF file | Formula: - C9 H7 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P -1 Cell volume: 713.551 Cell parameters: 8.1408; 8.7005; 10.582; 80.863; 76.27; 81.141; |
| COD ID: 1501712 | |
| CIF file | Formula: - C11 H11 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P 1 21/c 1 Cell volume: 1626.4 Cell parameters: 8.255; 13.88; 14.205; 90; 92.159; 90; |
| COD ID: 1501713 | |
| CIF file | Formula: - C12 H13 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P 1 21/n 1 Cell volume: 1756.17 Cell parameters: 11.5159; 12.2778; 12.5068; 90; 96.726; 90; |
| COD ID: 1501714 | |
| CIF file | Formula: - C10 H9 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P 1 21/n 1 Cell volume: 1548.3 Cell parameters: 12.687; 8.186; 15.537; 90; 106.36; 90; |
| COD ID: 1501715 | |
| CIF file | Formula: - C11 H11 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P -1 Cell volume: 823.97 Cell parameters: 8.2118; 8.6844; 12.6209; 98.692; 104.289; 104.167; |
| COD ID: 1501716 | |
| CIF file | Formula: - C11 H11 F6 N3 O4 S2 - Comments: 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 115(26) (2011) 8424-8438 Space group: P -1 Cell volume: 1643.6 Cell parameters: 8.134; 12.4922; 17.291; 72.707; 80.807; 80.637; |
| COD ID: 1501717 | |
| CIF file | Formula: - C22 H30 N4 O2 - Comments: 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 115(29) (2011) 14353 Space group: P -1 Cell volume: 524.8 Cell parameters: 6.9676; 8.345; 9.765; 79.75; 70.26; 83.19; |
| COD ID: 1501718 | |
| CIF file | Formula: - C22 H30 N4 O2 - Comments: 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 115(29) (2011) 14353 Space group: P 1 21/n 1 Cell volume: 1052.2 Cell parameters: 12.055; 6.5584; 13.381; 90; 95.95; 90; |
| COD ID: 1501719 | |
| CIF file | Formula: - C42 H23 B F24 N2 - Comments: 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 115(27) (2011) 8041-8048 Space group: P 1 21/n 1 Cell volume: 4347.8 Cell parameters: 13.1238; 18.615; 18.123; 90; 100.884; 90; |
| COD ID: 1501720 | |
| CIF file | Formula: - C28 H23 N O2 - Comments: 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 115(30) (2011) 8361-8368 Space group: P 1 21/c 1 Cell volume: 4157.6 Cell parameters: 11.7245; 11.2382; 32.084; 90; 100.429; 90; |
| COD ID: 1501721 | |
| CIF file | Formula: - C5 H10 N2 S2 - Comments: 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 115(45) (2011) 12738-12745 Space group: C 1 2/c 1 Cell volume: 691.48 Cell parameters: 10.3212; 8.8807; 7.5565; 90; 93.299; 90; |
| COD ID: 1501722 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 953.2 Cell parameters: 6.858; 7.636; 18.221; 90; 92.605; 90; |
| COD ID: 1501723 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 952 Cell parameters: 7.705; 7.146; 17.57; 90; 100.15; 90; |
| COD ID: 1501724 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P n m a Cell volume: 930.1 Cell parameters: 13.383; 6.769; 10.267; 90; 90; 90; |
| COD ID: 1501725 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P 21 21 21 Cell volume: 1156.37 Cell parameters: 6.0806; 12.2086; 15.577; 90; 90; 90; |
| COD ID: 1501726 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 1144.2 Cell parameters: 11.754; 5.765; 16.944; 90; 94.743; 90; |
| COD ID: 1501727 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P -1 Cell volume: 548.013 Cell parameters: 5.3862; 7.8721; 13.6512; 106.554; 98.414; 90.624; |
| COD ID: 1501728 | |
| CIF file | Formula: - C20 H32 Cl N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P 1 21/n 1 Cell volume: 2019.1 Cell parameters: 6.1089; 9.7134; 34.042; 90; 91.716; 90; |
| COD ID: 1501729 | |
| CIF file | Formula: - C9 H9 Cl2 N O - Comments: 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 115(26) (2011) 7834-7848 Space group: P -1 Cell volume: 532 Cell parameters: 7.034; 7.673; 10.57; 83.42; 70.6; 82.082; |
| COD ID: 1501730 | |
| CIF file | Formula: - C5 H17 B5 N2 O10 - Comments: 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 115(45) (2011) 12818-12825 Space group: P 1 21/c 1 Cell volume: 1408.44 Cell parameters: 9.5031; 14.1216; 10.4957; 90; 90.586; 90; |
| COD ID: 1501731 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1577.6 Cell parameters: 9.3541; 7.8376; 21.571; 90; 93.994; 90; |
| COD ID: 1501732 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1623.77 Cell parameters: 9.4963; 8.0181; 21.3804; 90; 94.107; 90; |
| COD ID: 1501733 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1623.77 Cell parameters: 9.4963; 8.0181; 21.3804; 90; 94.107; 90; |
| COD ID: 1501734 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1653.24 Cell parameters: 9.5862; 8.1401; 21.2445; 90; 94.236; 90; |
| COD ID: 1501735 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1670.7 Cell parameters: 9.6404; 8.2037; 21.187; 90; 94.384; 90; |
| COD ID: 1501736 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1673.1 Cell parameters: 9.6444; 8.216; 21.172; 90; 94.206; 90; |
| COD ID: 1501737 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1679.3 Cell parameters: 9.656; 8.247; 21.156; 90; 94.6; 90; |
| COD ID: 1501738 | |
| CIF file | Formula: - C28 H16 O2 - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 920.2 Cell parameters: 10.1199; 8.2949; 11.6257; 90; 109.455; 90; |
| COD ID: 1501739 | |
| CIF file | Formula: - C28 H16 O2 - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 943.03 Cell parameters: 10.1822; 8.4359; 11.6494; 90; 109.537; 90; |
| COD ID: 1501740 | |
| CIF file | Formula: - C28 H16 O2 - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 962.67 Cell parameters: 10.2391; 8.5602; 11.6621; 90; 109.646; 90; |
| COD ID: 1501741 | |
| CIF file | Formula: - C28 H16 O2 - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 973.31 Cell parameters: 10.2759; 8.6249; 11.6667; 90; 109.729; 90; |
| COD ID: 1501742 | |
| CIF file | Formula: - C28 H16 O2 - Comments: 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 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 974.35 Cell parameters: 10.2832; 8.6313; 11.6644; 90; 109.758; 90; |
| COD ID: 1501743 | |
| CIF file | Formula: - C29 H17 N - Comments: 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 115(31) (2011) 15502 Space group: P 1 21/c 1 Cell volume: 1878.9 Cell parameters: 12.102; 6.175; 25.167; 90; 92.532; 90; |
| COD ID: 1501744 | |
| CIF file | Formula: - C56 H38 N4 - Comments: 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 115(46) (2011) 13332-13337 Space group: P -1 Cell volume: 1950.5 Cell parameters: 12.15; 13.307; 14.206; 64.599; 71.92; 74.904; |
| COD ID: 1501745 | |
| CIF file | Formula: - C11 H8 N4 S - Comments: 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 115(42) (2011) 11775-11787 Space group: C 1 2/c 1 Cell volume: 2000.2 Cell parameters: 10.97; 8.986; 20.881; 90; 103.66; 90; |
| COD ID: 1501746 | |
| CIF file | Formula: - C9 H40 F N15 O12 S3 - Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284 Space group: P n a 21 Cell volume: 3005.6 Cell parameters: 20.353; 14.179; 10.415; 90; 90; 90; |
| COD ID: 1501747 | |
| CIF file | Formula: - C9 H40 F N15 O12 S3 - Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284 Space group: P 21 21 21 Cell volume: 3044.7 Cell parameters: 10.517; 14.329; 20.204; 90; 90; 90; |
| COD ID: 1501748 | |
| CIF file | Formula: - C9 H40 F N15 O12 S3 - Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284 Space group: P n m a Cell volume: 3057.1 Cell parameters: 20.171; 10.563; 14.348; 90; 90; 90; |
| COD ID: 1501749 | |
| CIF file | Formula: - C9 H40 F N15 O12 S3 - Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284 Space group: P n m a Cell volume: 3073.7 Cell parameters: 20.272; 10.583; 14.327; 90; 90; 90; |
| COD ID: 1501750 | |
| CIF file | Formula: - C13 H18 N2 - Comments: 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 115(40) (2011) 10823-10845 Space group: C 1 2/c 1 Cell volume: 4888.2 Cell parameters: 16.649; 14.441; 20.354; 90; 92.7; 90; |
| COD ID: 1501751 | |
| CIF file | Formula: - C11 H9 N3 - Comments: 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 115(40) (2011) 10823-10845 Space group: P -1 Cell volume: 462.9 Cell parameters: 7.947; 8.13; 8.153; 85.9; 76.26; 64.85; |
| COD ID: 1501752 | |
| CIF file | Formula: - C12 H13 N3 - Comments: 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 115(40) (2011) 10823-10845 Space group: P 1 21/c 1 Cell volume: 1103.31 Cell parameters: 7.462; 10.6319; 14.242; 90; 102.453; 90; |
| COD ID: 1501753 | |
| CIF file | Formula: - C12 H13 N3 - Comments: 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 115(40) (2011) 10823-10845 Space group: P 1 21/c 1 Cell volume: 1100.39 Cell parameters: 10.2495; 6.8618; 15.9772; 90; 101.686; 90; |
| COD ID: 1501754 | |
| CIF file | Formula: - C12 H13 N3 - Comments: 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 115(40) (2011) 10823-10845 Space group: P 1 21/n 1 Cell volume: 1097.25 Cell parameters: 8.9832; 12.6212; 9.6863; 90; 92.414; 90; |
| COD ID: 1501755 | |
| CIF file | Formula: - C10 H9 N3 - Comments: 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 115(40) (2011) 10823-10845 Space group: P -1 Cell volume: 457.56 Cell parameters: 8.0083; 8.1614; 8.1965; 85.25; 62.613; 74.373; |
| COD ID: 1501756 | |
| CIF file | Formula: - Cl4 Cs2 O2 U - Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density. The journal of physical chemistry. A 115(45) (2011) 13016-13023 Space group: C 1 2/m 1 Cell volume: 511.01 Cell parameters: 11.7882; 7.6411; 5.7686; 90; 100.438; 90; |
| COD ID: 1501757 | |
| CIF file | Formula: - B3 Ce Cl D12 Li - Comments: Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C. Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl The Journal of Physical Chemistry C 115(47) (2011) 23591 Space group: I -4 3 m Cell volume: 1557.55 Cell parameters: 11.5917; 11.5917; 11.5917; 90; 90; 90; |
| COD ID: 1501758 | |
| CIF file | Formula: - B3 Ce Cl D12 Li - Comments: Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C. Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl The Journal of Physical Chemistry C 115(47) (2011) 23591 Space group: I -4 3 m Cell volume: 1587.3 Cell parameters: 11.665; 11.665; 11.665; 90; 90; 90; |
| COD ID: 1501759 | |
| CIF file | Formula: - C10 H16 N6 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P b c a Cell volume: 2571.3 Cell parameters: 16.138; 7.0036; 22.75; 90; 90; 90; |
| COD ID: 1501760 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1659.38 Cell parameters: 10.9187; 10.9859; 14.7065; 90; 109.838; 90; |
| COD ID: 1501761 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/n 1 Cell volume: 1715.82 Cell parameters: 9.2057; 9.0165; 21.1691; 90; 102.445; 90; |
| COD ID: 1501762 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P -1 Cell volume: 1668.26 Cell parameters: 7.865; 9.6359; 23.304; 89.901; 88.777; 70.877; |
| COD ID: 1501763 | |
| CIF file | Formula: - C20 H18 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P -1 Cell volume: 891.7 Cell parameters: 9.6792; 10.0246; 10.2564; 108.14; 97.415; 104.581; |
| COD ID: 1501764 | |
| CIF file | Formula: - C20 H30 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P n m a Cell volume: 2098.8 Cell parameters: 11.6274; 6.7904; 26.582; 90; 90; 90; |
| COD ID: 1501765 | |
| CIF file | Formula: - C12 H18 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1401.5 Cell parameters: 8.3647; 21.533; 7.79; 90; 92.707; 90; |
| COD ID: 1501766 | |
| CIF file | Formula: - C14 H24 N6 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1761.48 Cell parameters: 12.7313; 15.6701; 9.4477; 90; 110.843; 90; |
| COD ID: 1501767 | |
| CIF file | Formula: - C10 H12 Cl2 N4 O6 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/n 1 Cell volume: 1477.89 Cell parameters: 10.3054; 4.4342; 32.6413; 90; 97.77; 90; |
| COD ID: 1501768 | |
| CIF file | Formula: - C18 H19 N3 O - Comments: Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores The Journal of Physical Chemistry C 115(48) (2011) 23955 Space group: P -1 Cell volume: 773.58 Cell parameters: 6.556; 7.697; 17.438; 93.754; 97.256; 116.531; |
| COD ID: 1501769 | |
| CIF file | Formula: - C18 H19 N3 - Comments: Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores The Journal of Physical Chemistry C 115(48) (2011) 23955 Space group: P -1 Cell volume: 788.67 Cell parameters: 7.6934; 9.7091; 11.3685; 84.576; 73.338; 75.881; |
| COD ID: 1501770 | |
| CIF file | Formula: - C54 H80 N9 O12 - Comments: Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile. The journal of physical chemistry. B 115(44) (2011) 13026-13036 Space group: P 1 21/c 1 Cell volume: 6037 Cell parameters: 16.086; 21.066; 18.104; 90; 100.27; 90; |
| COD ID: 1501771 | |
| CIF file | Formula: - C463.98 H239.98 N32 O313.66 Zn52 - Comments: Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework. The journal of physical chemistry. A 115(42) (2011) 11519-11524 Space group: F m -3 m Cell volume: 18496.3 Cell parameters: 26.4461; 26.4461; 26.4461; 90; 90; 90; |
| COD ID: 1501772 | |
| CIF file | Formula: - C32 H50 Li O4 - Comments: de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure. The journal of physical chemistry. B 115(49) (2011) 14610-14616 Space group: C 1 2/c 1 Cell volume: 3061.2 Cell parameters: 19.191; 9.8248; 17.327; 90; 110.442; 90; |
| COD ID: 1501773 | |
| CIF file | Formula: - C22 H12 S4 - Comments: Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors The Journal of Physical Chemistry C 115(48) (2011) 23984 Space group: C 1 2/c 1 Cell volume: 1743.7 Cell parameters: 38.113; 5.8256; 7.8705; 90; 93.77; 90; |
| COD ID: 1501774 | |
| CIF file | Formula: - C29 H25 F4 N8 S2 - Comments: von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study. The journal of physical chemistry. A 115(51) (2011) 14637-14646 Space group: P -1 Cell volume: 1447.96 Cell parameters: 7.6537; 12.4352; 16.3279; 73.674; 85.27; 76.176; |
| COD ID: 1501775 | |
| CIF file | Formula: - C36 H53 N O8 - Comments: Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs. Langmuir : the ACS journal of surfaces and colloids 27(6) (2011) 2844-2853 Space group: P -1 Cell volume: 1737.6 Cell parameters: 6.43; 10.419; 26.21; 98.166; 90.558; 91.15; |
| COD ID: 1501776 | |
| CIF file | Formula: - C8 H13 N O5 - Comments: Nishiyama, Yoshiharu; Noishiki, Yasutomo; Wada, Masahisa X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution Macromolecules 44(4) (2011) 950 Space group: P 1 1 21 Cell volume: 458.72 Cell parameters: 4.819; 9.239; 10.384; 90; 90; 97.16; |
| COD ID: 1501777 | |
| CIF file | Formula: - C18 H16 Si - Comments: Liu, Jianzhao; Lam, Jacky W. Y.; Jim, Cathy K. W.; Ng, Jason C. Y.; Shi, Jianbing; Su, Huimin; Yeung, Kwok Fai; Hong, Yuning; Faisal, Mahtab; Yu, Yong; Wong, Kam Sing; Tang, Ben Zhong Thiol−Yne Click Polymerization: Regio- and Stereoselective Synthesis of Sulfur-Rich Acetylenic Polymers with Controllable Chain Conformations and Tunable Optical Properties Macromolecules 44(1) (2011) 68 Space group: P 1 21/c 1 Cell volume: 1485.1 Cell parameters: 13.613; 18.074; 6.101; 90; 98.365; 90; |
| COD ID: 1501778 | |
| CIF file | Formula: - C56 H52 B2 Fe2 S4 - Comments: Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes Macromolecules 44(1) (2011) 95 Space group: P -1 Cell volume: 1176.51 Cell parameters: 7.7902; 10.2879; 15.8076; 102.028; 93.015; 106.952; |
| COD ID: 1501779 | |
| CIF file | Formula: - C82 H92 B2 Fe2 S4 - Comments: Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes Macromolecules 44(1) (2011) 95 Space group: P -1 Cell volume: 1730.94 Cell parameters: 9.777; 11.5826; 16.0262; 81.645; 75.313; 83.325; |
| COD ID: 1501780 | |
| CIF file | Formula: - C36 H40 Cl2 N2 O4 Zr - Comments: Theaker, Giles W.; Morton, Colin; Scott, Peter Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen Macromolecules 44(6) (2011) 1393 Space group: C 1 2/c 1 Cell volume: 3369.2 Cell parameters: 23.2628; 8.7389; 16.6065; 90; 93.635; 90; |
| COD ID: 1501781 | |
| CIF file | Formula: - C24 H40 N5 Zr - Comments: Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene Macromolecules 44(7) (2011) 1934 Space group: P -1 Cell volume: 1298.3 Cell parameters: 8.8164; 9.4888; 16.959; 75.473; 75.003; 75.112; |
| COD ID: 1501782 | |
| CIF file | Formula: - C24 H40 N5 Ti - Comments: Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene Macromolecules 44(7) (2011) 1934 Space group: P -1 Cell volume: 1267.4 Cell parameters: 8.743; 9.44; 16.825; 96.416; 104.72; 105.838; |
| COD ID: 1501783 | |
| CIF file | Formula: - C20 H32 N5 Ti - Comments: Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene Macromolecules 44(7) (2011) 1934 Space group: P 1 21/n 1 Cell volume: 2151.2 Cell parameters: 13.614; 10.374; 15.394; 90; 98.326; 90; |
| COD ID: 1501784 | |
| CIF file | Formula: - C14 H20 Cl2 N2 Ti - Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986 Space group: P 1 21/c 1 Cell volume: 4801.26 Cell parameters: 12.4924; 15.1082; 25.6216; 90; 96.8486; 90; |
| COD ID: 1501785 | |
| CIF file | Formula: - C20 H11 Cl2 N2 Ti - Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986 Space group: P b c a Cell volume: 3693.69 Cell parameters: 14.606; 12.1974; 20.733; 90; 90; 90; |
| COD ID: 1501786 | |
| CIF file | Formula: - C19 H26 Cl2 N2 Ti - Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986 Space group: P 1 21/c 1 Cell volume: 2059.3 Cell parameters: 6.694; 17.8966; 17.2184; 90; 93.3214; 90; |
| COD ID: 1501787 | |
| CIF file | Formula: - C14 H20 Cl2 N2 Ti - Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986 Space group: P -1 Cell volume: 783.23 Cell parameters: 6.6559; 10.1468; 11.8754; 88.737; 83.429; 79.4303; |
| COD ID: 1501788 | |
| CIF file | Formula: - C18 H28 Cl2 N2 Ti - Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986 Space group: C 1 2/c 1 Cell volume: 3941.01 Cell parameters: 30.917; 10.5621; 12.0811; 90; 92.5986; 90; |
| COD ID: 1501789 | |
| CIF file | Formula: - C462 H376 O12 Si8 - Comments: Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M. Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes Macromolecules 44(9) (2011) 3425 Space group: P -1 Cell volume: 11544.1 Cell parameters: 21.6705; 22.7273; 27.648; 70.874; 88.818; 64.954; |
| COD ID: 1501790 | |
| CIF file | Formula: - C447 H394 O12 Si8 - Comments: Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M. Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes Macromolecules 44(9) (2011) 3425 Space group: P 4/n :2 Cell volume: 43802 Cell parameters: 32.6146; 32.6146; 41.178; 90; 90; 90; |
| COD ID: 1501791 | |
| CIF file | Formula: - C7 H12 O4 - Comments: Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation Macromolecules 44(8) (2011) 2568 Space group: P 1 21/c 1 Cell volume: 780.4 Cell parameters: 6.446; 5.578; 22.186; 90; 101.943; 90; |
| COD ID: 1501792 | |
| CIF file | Formula: - C36 H36 Cl Cr N2 O6 - Comments: Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation Macromolecules 44(8) (2011) 2568 Space group: P 1 21/c 1 Cell volume: 3454 Cell parameters: 17.268; 18.138; 11.499; 90; 106.48; 90; |
| COD ID: 1501793 | |
| CIF file | Formula: - C26 H44 F6 O6 P2 Pd S2 - Comments: Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters Macromolecules 44(11) (2011) 4159 Space group: P 21 21 21 Cell volume: 3404.5 Cell parameters: 9.1472; 11.3899; 32.6773; 90; 90; 90; |
| COD ID: 1501794 | |
| CIF file | Formula: - C24 H24 N4 O10 - Comments: Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas Cocrystals of quercetin with improved solubility and oral bioavailability. Molecular pharmaceutics 8(5) (2011) 1867-1876 Space group: P 1 21/c 1 Cell volume: 2287.51 Cell parameters: 10.3089; 14.8531; 15.1994; 90; 100.612; 90; |
| COD ID: 1501795 | |
| CIF file | Formula: - C21 H16 N2 O8 - Comments: Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas Cocrystals of quercetin with improved solubility and oral bioavailability. Molecular pharmaceutics 8(5) (2011) 1867-1876 Space group: P -1 Cell volume: 885.6 Cell parameters: 4.978; 12.636; 15.571; 110.53; 97.63; 99.39; |
| COD ID: 1501796 | |
| CIF file | Formula: - C15 H22 O3 - Comments: Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava. Journal of natural products 74(2) (2011) 169-174 Space group: P 1 21 1 Cell volume: 642.14 Cell parameters: 6.7198; 12.2064; 8.2198; 90; 107.746; 90; |
| COD ID: 1501797 | |
| CIF file | Formula: - C12 H17 N3 O7 - Comments: Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa. Journal of natural products 74(1) (2011) 32-37 Space group: P -1 Cell volume: 721.5 Cell parameters: 8.933; 9.339; 9.9444; 116.449; 100.762; 92.763; |
| COD ID: 1501798 | |
| CIF file | Formula: - C19 H23 N O5 - Comments: He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha. Journal of natural products 74(2) (2011) 181-184 Space group: P 1 21 1 Cell volume: 1695.1 Cell parameters: 11.916; 6.673; 21.319; 90; 90.46; 90; |
| COD ID: 1501799 | |
| CIF file | Formula: - C28 H38 O9 - Comments: Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum. Journal of natural products 74(5) (2011) 1268-1271 Space group: P 21 21 21 Cell volume: 2686.9 Cell parameters: 9.393; 14.905; 19.192; 90; 90; 90; |
| COD ID: 1501800 | |
| CIF file | Formula: - C14 H15 N O7 - Comments: McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor. Journal of natural products 74(1) (2011) 106-108 Space group: P 1 21 1 Cell volume: 644.86 Cell parameters: 9.2997; 6.9294; 10.8143; 90; 112.279; 90; |
| COD ID: 1501801 | |
| CIF file | Formula: - C20 H30 O2 - Comments: Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis. Journal of natural products 74(2) (2011) 213-222 Space group: P 21 21 21 Cell volume: 1698.7 Cell parameters: 7.7877; 13.9979; 15.583; 90; 90; 90; |
| COD ID: 1501802 | |
| CIF file | Formula: - C30 H46 O4 S - Comments: Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf A highly conjugated dihydroxylated C28 steroid from a myxobacterium. Journal of natural products 74(5) (2011) 1281-1283 Space group: I 1 2 1 Cell volume: 2868.9 Cell parameters: 11.5246; 5.8509; 42.613; 90; 93.203; 90; |
| COD ID: 1501803 | |
| CIF file | Formula: - C49 H79 N6 O13.5 - Comments: Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam. Journal of natural products 74(1) (2011) 109-112 Space group: P 21 21 21 Cell volume: 5278.1 Cell parameters: 10.534; 14.952; 33.511; 90; 90; 90; |
| COD ID: 1501804 | |
| CIF file | Formula: - C15 H23.5 O5 - Comments: Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp. Journal of natural products 74(2) (2011) 296-299 Space group: P 1 Cell volume: 774.5 Cell parameters: 8.583; 9.549; 11.107; 73.568; 69.697; 67.017; |
| COD ID: 1501805 | |
| CIF file | Formula: - C9 H20 Cl N - Comments: Kavala, Miroslav; Mathia, František; Kožíšek, Jozef; Szolcsányi, Peter Efficient total synthesis of (+)-dihydropinidine, (-)-epidihydropinidine, and (-)-pinidinone. Journal of natural products 74(4) (2011) 803-808 Space group: C 2 2 2 Cell volume: 4898.51 Cell parameters: 9.90868; 34.4359; 14.3561; 90; 90; 90; |
| COD ID: 1501806 | |
| CIF file | Formula: - C17 H18 O5 - Comments: Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity. Journal of natural products 74(12) (2011) 2489-2496 Space group: P 1 21 1 Cell volume: 730.9 Cell parameters: 7.3433; 11.4642; 9.1189; 90; 107.807; 90; |
| COD ID: 1501807 | |
| CIF file | Formula: - C15 H19 N O4 - Comments: Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products 74(5) (2011) 1003-1008 Space group: P 1 21 1 Cell volume: 738.89 Cell parameters: 7.2182; 8.5374; 12.1649; 90; 99.722; 90; |
| COD ID: 1501808 | |
| CIF file | Formula: - C49 H79 N7 O13 - Comments: Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products 74(5) (2011) 1003-1008 Space group: P 1 21 1 Cell volume: 2720.4 Cell parameters: 10.844; 16.113; 16.05; 90; 104.062; 90; |
| COD ID: 1501809 | |
| CIF file | Formula: - C13 H14 F3 N O3 - Comments: Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products 74(5) (2011) 1003-1008 Space group: P 1 21 1 Cell volume: 668.03 Cell parameters: 7.9918; 6.385; 13.4458; 90; 103.181; 90; |
| COD ID: 1501810 | |
| CIF file | Formula: - C17 H22 O4 - Comments: Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea. Journal of natural products 74(5) (2011) 997-1002 Space group: P 1 21 1 Cell volume: 757.7 Cell parameters: 5.8825; 8.9553; 14.6363; 90; 100.671; 90; |
| COD ID: 1501811 | |
| CIF file | Formula: - C22 H33 N O3 - Comments: Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages. Journal of natural products 74(6) (2011) 1379-1385 Space group: P 21 21 21 Cell volume: 2039.1 Cell parameters: 7.7118; 10.43; 25.351; 90; 90; 90; |
| COD ID: 1501812 | |
| CIF file | Formula: - C22 H32 O6 - Comments: Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K. Labdane diterpenoids from Leonurus sibiricus. Journal of natural products 74(4) (2011) 831-836 Space group: P 1 21 1 Cell volume: 1962.3 Cell parameters: 12.1972; 8.9304; 18.0154; 90; 90.176; 90; |
| COD ID: 1501813 | |
| CIF file | Formula: - C22 H34 O7 - Comments: Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K. Labdane diterpenoids from Leonurus sibiricus. Journal of natural products 74(4) (2011) 831-836 Space group: P 21 21 21 Cell volume: 2064.1 Cell parameters: 11.373; 11.703; 15.508; 90; 90; 90; |
| COD ID: 1501814 | |
| CIF file | Formula: - C22 H34 O7 - Comments: Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K. Labdane diterpenoids from Leonurus sibiricus. Journal of natural products 74(4) (2011) 831-836 Space group: P 21 21 21 Cell volume: 2064.3 Cell parameters: 11.3687; 11.7108; 15.5053; 90; 90; 90; |
| COD ID: 1501815 | |
| CIF file | Formula: - C32 H40 O9 - Comments: Najmuldeen, Ibrahim A.; Hadi, A Hamid A; Awang, Khalijah; Mohamad, Khalit; Ketuly, Kamal Aziz; Mukhtar, Mat Ropi; Chong, Soon-Lim; Chan, Gomathi; Nafiah, Mohd Azlan; Weng, Ng Seik; Shirota, Osamu; Hosoya, Takahiro; Nugroho, Alfarius E.; Morita, Hiroshi Chisomicines A-C, limonoids from Chisocheton ceramicus. Journal of natural products 74(5) (2011) 1313-1317 Space group: P 21 21 21 Cell volume: 5774.33 Cell parameters: 12.491; 13.4647; 34.3327; 90; 90; 90; |
| COD ID: 1501816 | |
| CIF file | Formula: - C45 H51 N O20 - Comments: Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis. Journal of natural products 74(6) (2011) 1386-1391 Space group: P 1 21 1 Cell volume: 2213.61 Cell parameters: 10.3372; 16.3424; 13.1251; 90; 93.2976; 90; |
| COD ID: 1501817 | |
| CIF file | Formula: - C16 H13 N3 O3 - Comments: Li, Chun-Shun; An, Chun-Yan; Li, Xiao-Ming; Gao, Shu-Shan; Cui, Chuan-Ming; Sun, Hao-Fen; Wang, Bin-Gui Triazole and dihydroimidazole alkaloids from the marine sediment-derived fungus Penicillium paneum SD-44. Journal of natural products 74(5) (2011) 1331-1334 Space group: P 1 21/n 1 Cell volume: 2867.5 Cell parameters: 15.595; 11.656; 17.393; 90; 114.91; 90; |
| COD ID: 1501818 | |
| CIF file | Formula: - C29 H42 O5 - Comments: Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala. Journal of natural products 74(5) (2011) 1132-1141 Space group: P 1 21 1 Cell volume: 1272 Cell parameters: 13.846; 6.1634; 15.497; 90; 105.886; 90; |
| COD ID: 1501819 | |
| CIF file | Formula: - C27 H38 O3 - Comments: Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala. Journal of natural products 74(5) (2011) 1132-1141 Space group: P 21 21 21 Cell volume: 2248.7 Cell parameters: 6.5336; 14.5778; 23.6095; 90; 90; 90; |
| COD ID: 1501820 | |
| CIF file | Formula: - C40 H44 O14 - Comments: Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus. Journal of natural products 74(6) (2011) 1408-1413 Space group: P 1 21 1 Cell volume: 1828.9 Cell parameters: 9.84; 18.655; 10.168; 90; 101.518; 90; |
| COD ID: 1501821 | |
| CIF file | Formula: - C27.5 H48 O5.5 - Comments: Challinor, Victoria L.; Stuthe, Julia M. U.; Bernhardt, Paul V.; Lehmann, Reginald P.; Kitching, William; De Voss, James J. Structure and absolute configuration of helosides A and B, new saponins from Chamaelirium luteum. Journal of natural products 74(7) (2011) 1557-1560 Space group: P 21 21 21 Cell volume: 2636.89 Cell parameters: 6.1059; 12.3606; 34.9384; 90; 90; 90; |
| COD ID: 1501822 | |
| CIF file | Formula: - C20 H26 O5 - Comments: Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka Chemical constituents of a marine fungus, Arthrinium sacchari. Journal of natural products 74(7) (2011) 1645-1649 Space group: P 21 21 21 Cell volume: 1751.59 Cell parameters: 11.9928; 12.0355; 12.1352; 90; 90; 90; |
| COD ID: 1501823 | |
| CIF file | Formula: - C20 H26 O4 - Comments: Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka Chemical constituents of a marine fungus, Arthrinium sacchari. Journal of natural products 74(7) (2011) 1645-1649 Space group: P 21 21 21 Cell volume: 1692.5 Cell parameters: 11.3885; 11.8068; 12.5872; 90; 90; 90; |
| COD ID: 1501824 | |
| CIF file | Formula: - C20 H24 O5 - Comments: Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka Chemical constituents of a marine fungus, Arthrinium sacchari. Journal of natural products 74(7) (2011) 1645-1649 Space group: P 1 21 1 Cell volume: 867.43 Cell parameters: 10.5854; 7.81311; 10.6146; 90; 98.851; 90; |
| COD ID: 1501825 | |
| CIF file | Formula: - C16 H24 O5 - Comments: Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala. Journal of natural products 74(5) (2011) 1230-1235 Space group: P 21 21 21 Cell volume: 3004.05 Cell parameters: 10.9434; 12.4201; 22.1019; 90; 90; 90; |
| COD ID: 1501826 | |
| CIF file | Formula: - C16 H24 O5 - Comments: Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala. Journal of natural products 74(5) (2011) 1230-1235 Space group: P 1 21 1 Cell volume: 1523.25 Cell parameters: 8.738; 12.2728; 14.3159; 90; 97.163; 90; |
| COD ID: 1501827 | |
| CIF file | Formula: - C14 H22 O4 - Comments: Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala. Journal of natural products 74(5) (2011) 1230-1235 Space group: P 21 21 21 Cell volume: 1268.88 Cell parameters: 7.3125; 12.4303; 13.9596; 90; 90; 90; |
| COD ID: 1501828 | |
| CIF file | Formula: - C22 H33 O7 - Comments: Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora. Journal of natural products 74(6) (2011) 1526-1530 Space group: P 1 21 1 Cell volume: 1148 Cell parameters: 7.726; 6.353; 23.42; 90; 93.2; 90; |
| COD ID: 1501829 | |
| CIF file | Formula: - C30 H46 O4 - Comments: Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa. Journal of natural products 74(8) (2011) 1744-1750 Space group: P 21 21 21 Cell volume: 2745.98 Cell parameters: 8.0495; 17.7248; 19.2463; 90; 90; 90; |
| COD ID: 1501830 | |
| CIF file | Formula: - C30 H46 O3 - Comments: Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa. Journal of natural products 74(8) (2011) 1744-1750 Space group: P 21 21 21 Cell volume: 2961.3 Cell parameters: 11.1004; 12.7518; 20.9205; 90; 90; 90; |
| COD ID: 1501831 | |
| CIF file | Formula: - C30 H46 O3 - Comments: Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa. Journal of natural products 74(8) (2011) 1744-1750 Space group: P 1 Cell volume: 618.86 Cell parameters: 6.7903; 7.0914; 14.7228; 78.885; 81.171; 63.15; |
| COD ID: 1501832 | |
| CIF file | Formula: - C35 H54 N O14.5 - Comments: Rateb, Mostafa E.; Houssen, Wael E.; Arnold, Markus; Abdelrahman, Mostafa H.; Deng, Hai; Harrison, William T. A.; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Ferguson, Gail; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel Chaxamycins A-D, bioactive ansamycins from a hyper-arid desert Streptomyces sp. Journal of natural products 74(6) (2011) 1491-1499 Space group: P 21 21 2 Cell volume: 3629.57 Cell parameters: 24.5968; 10.0636; 14.663; 90; 90; 90; |
| COD ID: 1501833 | |
| CIF file | Formula: - C24 H38 O5 - Comments: Ciavatta, Maria Letizia; Manzo, Emiliano; Mollo, Ernesto; Mattia, Carlo Andrea; Tedesco, Consiglia; Irace, Carlo; Guo, Yue-Wei; Li, Xiu-Bao; Cimino, Guido; Gavagnin, Margherita Tritoniopsins A-D, cladiellane-based diterpenes from the South China Sea nudibranch Tritoniopsis elegans and its prey Cladiella krempfi. Journal of natural products 74(9) (2011) 1902-1907 Space group: P 21 21 21 Cell volume: 2186.9 Cell parameters: 9.873; 14.759; 15.008; 90; 90; 90; |
| COD ID: 1501834 | |
| CIF file | Formula: - C23 H21 N3 O3 - Comments: Huang, Hongbo; Yao, Yueliang; He, Zhengxiang; Yang, Tingting; Ma, Junying; Tian, Xinpeng; Li, Yayong; Huang, Caiguo; Chen, Xiaoping; Li, Wenjun; Zhang, Si; Zhang, Changsheng; Ju, Jianhua Antimalarial β-carboline and indolactam alkaloids from Marinactinospora thermotolerans, a deep sea isolate. Journal of natural products 74(10) (2011) 2122-2127 Space group: P 1 21/c 1 Cell volume: 1932.9 Cell parameters: 16.0472; 8.5891; 15.6785; 90; 116.563; 90; |
| COD ID: 1501835 | |
| CIF file | Formula: - C16 H16 O4 - Comments: Elsebai, Mahmoud Fahmi; Natesan, Lavanya; Kehraus, Stefan; Mohamed, Ietidal E.; Schnakenburg, Gregor; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; König, Gabriele M HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale. Journal of natural products 74(10) (2011) 2282-2285 Space group: P 1 21 1 Cell volume: 1408.59 Cell parameters: 7.2659; 14.0034; 13.9617; 90; 97.446; 90; |
| COD ID: 1501836 | |
| CIF file | Formula: - C16 H22 O10 - Comments: Yu, Yang; Song, Weixia; Zhu, Chenggen; Lin, Sheng; Zhao, Feng; Wu, Xiuli; Yue, Zhenggang; Liu, Bo; Wang, Sujuan; Yuan, Shaopeng; Hou, Qi; Shi, Jiangong Homosecoiridoids from the flower buds of Lonicera japonica. Journal of natural products 74(10) (2011) 2151-2160 Space group: P 21 21 21 Cell volume: 1699 Cell parameters: 8.4601; 11.033; 18.202; 90; 90; 90; |
| COD ID: 1501837 | |
| CIF file | Formula: - C28 H40 O4 - Comments: Rateb, Mostafa E.; Houssen, Wael E.; Harrison, William T. A.; Deng, Hai; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel Diverse metabolic profiles of a Streptomyces strain isolated from a hyper-arid environment. Journal of natural products 74(9) (2011) 1965-1971 Space group: P 21 21 21 Cell volume: 2691.6 Cell parameters: 8.8119; 11.8088; 25.8659; 90; 90; 90; |
| COD ID: 1501838 | |
| CIF file | Formula: - C39 H56 O15 - Comments: Xu, Jing; Guo, Yuanqiang; Xie, Chunfeng; Li, Yushan; Gao, Jie; Zhang, Tiejun; Hou, Wenbin; Fang, Lingzhi; Gui, Liping Bioactive myrsinol diterpenoids from the roots of Euphorbia prolifera. Journal of natural products 74(10) (2011) 2224-2230 Space group: P 21 21 21 Cell volume: 4054.3 Cell parameters: 10.2388; 12.9739; 30.5211; 90; 90; 90; |
| COD ID: 1501839 | |
| CIF file | Formula: - C18 H22 O4 - Comments: Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P. Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling. Journal of natural products 74(9) (2011) 1980-1984 Space group: P 1 21/c 1 Cell volume: 797.01 Cell parameters: 5.63332; 10.58166; 13.6258; 90; 101.109; 90; |
| COD ID: 1501840 | |
| CIF file | Formula: - C18 H20 Br2 O4 - Comments: Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P. Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling. Journal of natural products 74(9) (2011) 1980-1984 Space group: P 1 21/c 1 Cell volume: 905.55 Cell parameters: 4.58461; 7.2511; 27.3156; 90; 94.269; 90; |
| COD ID: 1501841 | |
| CIF file | Formula: - C18 H18 Br2 O4 - Comments: Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P. Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling. Journal of natural products 74(9) (2011) 1980-1984 Space group: P 1 21/n 1 Cell volume: 869.68 Cell parameters: 4.39738; 13.7231; 14.4505; 90; 94.203; 90; |
| COD ID: 1501842 | |
| CIF file | Formula: - C22 H22 N2 O4 - Comments: Fu, Peng; Liu, Peipei; Qu, Haijun; Wang, Yi; Chen, Dianfeng; Wang, Hui; Li, Jing; Zhu, Weiming Α-pyrones and diketopiperazine derivatives from the marine-derived actinomycete Nocardiopsis dassonvillei HR10-5. Journal of natural products 74(10) (2011) 2219-2223 Space group: P 1 21/c 1 Cell volume: 1929.3 Cell parameters: 7.155; 25.307; 12.8341; 90; 123.88; 90; |
| COD ID: 1501843 | |
| CIF file | Formula: - C30 H48 O5 - Comments: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products 74(10) (2011) 2235-2242 Space group: C 1 2 1 Cell volume: 2734 Cell parameters: 31.391; 7.212; 12.407; 90; 103.261; 90; |
| COD ID: 1501844 | |
| CIF file | Formula: - C27 H38 O5 - Comments: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products 74(10) (2011) 2235-2242 Space group: C 1 2 1 Cell volume: 2952.3 Cell parameters: 31.267; 6.8755; 14.753; 90; 111.429; 90; |
| COD ID: 1501845 | |
| CIF file | Formula: - C30 H46 O4 - Comments: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products 74(10) (2011) 2235-2242 Space group: P 1 21 1 Cell volume: 1349 Cell parameters: 7.5; 17.596; 10.344; 90; 98.773; 90; |
| COD ID: 1501846 | |
| CIF file | Formula: - C32 H52 O4 - Comments: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products 74(10) (2011) 2235-2242 Space group: P 21 21 21 Cell volume: 2981 Cell parameters: 7.541; 10.852; 36.43; 90; 90; 90; |
| COD ID: 1501847 | |
| CIF file | Formula: - C31 H46 O5 - Comments: Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products 74(10) (2011) 2235-2242 Space group: P 21 21 21 Cell volume: 2810 Cell parameters: 7.299; 16.568; 23.238; 90; 90; 90; |
| COD ID: 1501848 | |
| CIF file | Formula: - C22 H26 Cl6 N2 O2 - Comments: Lim, Siew-Huah; Tan, Shin-Jowl; Low, Yun-Yee; Kam, Toh-Seok Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla. Journal of natural products 74(12) (2011) 2556-2562 Space group: P 21 21 21 Cell volume: 2504.05 Cell parameters: 10.389; 10.4473; 23.0709; 90; 90; 90; |
| COD ID: 1501849 | |
| CIF file | Formula: - C44 H42 N4 - Comments: Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters 13(2) (2011) 188-191 Space group: P 1 21/n 1 Cell volume: 1627 Cell parameters: 15.429; 6.4378; 16.994; 90; 105.454; 90; |
| COD ID: 1501850 | |
| CIF file | Formula: - C44 H40 N4 Ni - Comments: Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters 13(2) (2011) 188-191 Space group: P b c a Cell volume: 3276.7 Cell parameters: 15.338; 13.793; 15.4883; 90; 90; 90; |
| COD ID: 1501851 | |
| CIF file | Formula: - C26 H30 N2 O4 - Comments: Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters 13(2) (2011) 188-191 Space group: C 1 2/c 1 Cell volume: 10680 Cell parameters: 24.668; 17.4685; 25.941; 90; 107.172; 90; |
| COD ID: 1501852 | |
| CIF file | Formula: - C18 H16 N4 O2 - Comments: Su, Xin; Aprahamian, Ivan Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch. Organic letters 13(1) (2011) 30-33 Space group: P 1 21 1 Cell volume: 765.76 Cell parameters: 8.9091; 4.86; 17.9948; 90; 100.636; 90; |
| COD ID: 1501853 | |
| CIF file | Formula: - C22 H18 F6 N4 O6 - Comments: Su, Xin; Aprahamian, Ivan Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch. Organic letters 13(1) (2011) 30-33 Space group: P -1 Cell volume: 1135.82 Cell parameters: 7.3881; 10.9108; 15.096; 101.546; 95.941; 105.033; |
| COD ID: 1501854 | |
| CIF file | Formula: - C17 H17 N3 - Comments: Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles. Organic letters 13(2) (2011) 192-195 Space group: P 1 21 1 Cell volume: 1404.9 Cell parameters: 12.632; 9.666; 12.804; 90; 116.024; 90; |
| COD ID: 1501855 | |
| CIF file | Formula: - C17 H18 N2 O2 - Comments: Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles. Organic letters 13(2) (2011) 192-195 Space group: C 1 c 1 Cell volume: 1441.5 Cell parameters: 8.782; 19.177; 9.362; 90; 113.9; 90; |
| COD ID: 1501856 | |
| CIF file | Formula: - C21 H22 Fe O6 S - Comments: Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S. Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex. Organic letters 13(1) (2011) 58-61 Space group: P 1 21 1 Cell volume: 1009.08 Cell parameters: 7.1397; 6.5723; 21.7434; 90; 98.501; 90; |
| COD ID: 1501857 | |
| CIF file | Formula: - C20 H20 Fe O6 S - Comments: Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S. Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex. Organic letters 13(1) (2011) 58-61 Space group: P 21 21 21 Cell volume: 1984.33 Cell parameters: 12.0135; 12.644; 13.0635; 90; 90; 90; |
| COD ID: 1501858 | |
| CIF file | Formula: - C21 H22 Fe O6 S - Comments: Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S. Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex. Organic letters 13(1) (2011) 58-61 Space group: P 21 21 21 Cell volume: 2108.33 Cell parameters: 6.1275; 9.7503; 35.2888; 90; 90; 90; |
| COD ID: 1501859 | |
| CIF file | Formula: - C17 H20 O2 - Comments: Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate. Organic letters 13(2) (2011) 180-183 Space group: P 1 21/c 1 Cell volume: 1440.91 Cell parameters: 11.0138; 11.3199; 11.6948; 90; 98.794; 90; |
| COD ID: 1501860 | |
| CIF file | Formula: - C17 H20 O2 - Comments: Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate. Organic letters 13(2) (2011) 180-183 Space group: P 1 21/c 1 Cell volume: 2890.7 Cell parameters: 11.751; 7.9495; 32.608; 90; 108.379; 90; |
| COD ID: 1501861 | |
| CIF file | Formula: - C24 H6 B F15 O - Comments: Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. Organic letters 13(1) (2011) 62-65 Space group: P -1 Cell volume: 1123.03 Cell parameters: 10.2004; 10.4858; 10.936; 79.725; 79.268; 81.578; |
| COD ID: 1501862 | |
| CIF file | Formula: - C22 H6 B F15 O - Comments: Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. Organic letters 13(1) (2011) 62-65 Space group: P b c a Cell volume: 4303.75 Cell parameters: 14.2119; 16.668; 18.1682; 90; 90; 90; |
| COD ID: 1501863 | |
| CIF file | Formula: - C24 H10 B F15 - Comments: Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. Organic letters 13(1) (2011) 62-65 Space group: P 1 21/n 1 Cell volume: 2314.12 Cell parameters: 12.6904; 10.1992; 18.6406; 90; 106.434; 90; |
| COD ID: 1501864 | |
| CIF file | Formula: - C23 H20 O2 S - Comments: Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters 13(2) (2011) 184-187 Space group: P 21 21 21 Cell volume: 3933 Cell parameters: 11.15; 11.305; 31.2; 90; 90; 90; |
| COD ID: 1501865 | |
| CIF file | Formula: - C51 H44 O5 S2 - Comments: Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters 13(2) (2011) 184-187 Space group: C 1 2 1 Cell volume: 4468 Cell parameters: 20.063; 10.21; 21.815; 90; 89.42; 90; |
| COD ID: 1501866 | |
| CIF file | Formula: - C24 H22 O2 S - Comments: Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters 13(2) (2011) 184-187 Space group: P 1 Cell volume: 1029.9 Cell parameters: 8.351; 10.444; 13.019; 105.335; 97.845; 105.307; |
| COD ID: 1501867 | |
| CIF file | Formula: - C23 H18 F6 O2 S - Comments: Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters 13(2) (2011) 184-187 Space group: P 1 21 1 Cell volume: 1149.9 Cell parameters: 6.124; 14.952; 12.56; 90; 91.07; 90; |
| COD ID: 1501868 | |
| CIF file | Formula: - C24 H27 N O5 - Comments: Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen Asymmetric total synthesis and structural elucidation of NFAT-68. Organic letters 13(1) (2011) 74-77 Space group: P 1 21 1 Cell volume: 1094.4 Cell parameters: 6.297; 19.655; 8.8472; 90; 91.87; 90; |
| COD ID: 1501869 | |
| CIF file | Formula: - C16 H17 N O7 - Comments: Chen, Yan; Ju, Tong Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3). Organic letters 13(1) (2011) 86-89 Space group: P 1 21 1 Cell volume: 802.7 Cell parameters: 7.4253; 6.7697; 16.333; 90; 102.13; 90; |
| COD ID: 1501870 | |
| CIF file | Formula: - C11 H18 O2 - Comments: Chen, Yan; Ju, Tong Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3). Organic letters 13(1) (2011) 86-89 Space group: P 21 21 21 Cell volume: 1038.5 Cell parameters: 5.4202; 10.233; 18.723; 90; 90; 90; |
| COD ID: 1501871 | |
| CIF file | Formula: - C28 H47 O6 - Comments: Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong Total synthesis of (-)-Przewalskin B. Organic letters 13(2) (2011) 173-175 Space group: P 1 21 1 Cell volume: 1463 Cell parameters: 11.193; 10.374; 13.163; 90; 106.797; 90; |
| COD ID: 1501872 | |
| CIF file | Formula: - C25 H20 Cl N O4 - Comments: Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles. Organic letters 13(1) (2011) 82-85 Space group: P 1 21 1 Cell volume: 2125 Cell parameters: 8.6429; 27.752; 9.2865; 90; 107.44; 90; |
| COD ID: 1501873 | |
| CIF file | Formula: - C16 H15 N O3 S - Comments: Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones. Organic letters 13(2) (2011) 208-211 Space group: P 1 21/c 1 Cell volume: 1420.19 Cell parameters: 13.2577; 7.3889; 15.0467; 90; 105.525; 90; |
| COD ID: 1501874 | |
| CIF file | Formula: - C21 H19 N O3 S - Comments: Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones. Organic letters 13(2) (2011) 208-211 Space group: P 1 21/c 1 Cell volume: 1803.76 Cell parameters: 9.6221; 8.9558; 21.2803; 90; 100.385; 90; |
| COD ID: 1501875 | |
| CIF file | Formula: - C20 H23 N O2 - Comments: Chai, David I.; Hoffmeister, Laura; Lautens, Mark Synthesis of 2-oxazolones and α-aminoketones via palladium-catalyzed reaction of β,β-dibromoenamides. Organic letters 13(1) (2011) 106-109 Space group: P 1 21/c 1 Cell volume: 1748.3 Cell parameters: 15.223; 9.7311; 11.8244; 90; 93.537; 90; |
| COD ID: 1501876 | |
| CIF file | Formula: - C21 H20 Br N O4 - Comments: Jin, Zhichao; Wang, Xiao; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing Diastereo- and enantioselective synthesis of oxazine and oxazolidine derivatives with a chiral quaternary carbon center under multifunctional catalysis. Organic letters 13(4) (2011) 564-567 Space group: P 21 21 21 Cell volume: 1879.3 Cell parameters: 7.5957; 11.494; 21.526; 90; 90; 90; |
| COD ID: 1501877 | |
| CIF file | Formula: - C15 H13 F O3 S - Comments: Zhang, He; Zhou, Chang-Bing; Chen, Qing-Yun; Xiao, Ji-Chang; Hong, Ran Monofluorovinyl tosylate: a useful building block for the synthesis of terminal vinyl monofluorides via Suzuki-Miyaura coupling. Organic letters 13(4) (2011) 560-563 Space group: P 1 21/c 1 Cell volume: 1367.5 Cell parameters: 9.9664; 7.268; 19.153; 90; 99.713; 90; |
| COD ID: 1501878 | |
| CIF file | Formula: - C26 H25 N3 O - Comments: Scadeng, Owen; Ferguson, Michael J.; West, F. G. Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate. Organic letters 13(1) (2011) 114-117 Space group: P -1 Cell volume: 1070.83 Cell parameters: 9.5322; 10.3847; 12.3527; 84.4292; 72.2128; 66.9269; |
| COD ID: 1501879 | |
| CIF file | Formula: - C28 H29 N3 O3 - Comments: Scadeng, Owen; Ferguson, Michael J.; West, F. G. Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate. Organic letters 13(1) (2011) 114-117 Space group: C 1 c 1 Cell volume: 2399 Cell parameters: 16.7182; 15.0048; 9.8096; 90; 102.86; 90; |
| COD ID: 1501880 | |
| CIF file | Formula: - C28 H29 N O2 - Comments: Scadeng, Owen; Ferguson, Michael J.; West, F. G. Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate. Organic letters 13(1) (2011) 114-117 Space group: P -1 Cell volume: 1126.09 Cell parameters: 8.3049; 9.498; 15.5636; 99.4404; 99.1386; 107.537; |
| COD ID: 1501881 | |
| CIF file | Formula: - C31 H27 N3 O3 - Comments: Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D. Guest-accelerated molecular rotor. Organic letters 13(2) (2011) 244-247 Space group: P b c a Cell volume: 15386.7 Cell parameters: 18.5834; 25.3538; 32.657; 90; 90; 90; |
| COD ID: 1501882 | |
| CIF file | Formula: - C31 H27 N3 O3 - Comments: Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D. Guest-accelerated molecular rotor. Organic letters 13(2) (2011) 244-247 Space group: P 1 21/c 1 Cell volume: 5115.4 Cell parameters: 15.1705; 20.6845; 17.4086; 90; 110.54; 90; |
| COD ID: 1501883 | |
| CIF file | Formula: - C26 H16 F2 - Comments: Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J. Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled. Organic letters 13(2) (2011) 256-259 Space group: P 1 21/c 1 Cell volume: 879.6 Cell parameters: 11.2541; 9.5009; 8.4762; 90; 103.936; 90; |
| COD ID: 1501884 | |
| CIF file | Formula: - C66.86 H47.72 - Comments: Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J. Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled. Organic letters 13(2) (2011) 256-259 Space group: P -1 Cell volume: 2342.31 Cell parameters: 11.4349; 12.9659; 16.4853; 74.056; 86.58; 85.989; |
| COD ID: 1501885 | |
| CIF file | Formula: - C51 H37 N5 Ni O2 - Comments: Carvalho, Carla M. B.; Neves, Maria G. P. M. S.; Tomé, Augusto C; Paz, Filipe A Almeida; Silva, Artur M. S.; Cavaleiro, José A S 1,3-Dioxopyrrolo[3,4-b]porphyrins: synthesis and chemistry. Organic letters 13(1) (2011) 130-133 Space group: P -1 Cell volume: 1924.56 Cell parameters: 11.5233; 12.968; 13.3977; 101.394; 94.514; 99.229; |
| COD ID: 1501886 | |
| CIF file | Formula: - C29 H22 N4 O5 S2 - Comments: Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters 13(1) (2011) 126-129 Space group: P -1 Cell volume: 1340.92 Cell parameters: 8.108; 11.4326; 14.8333; 101.495; 92.42; 94.486; |
| COD ID: 1501887 | |
| CIF file | Formula: - C38 H24 N4 O5 - Comments: Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters 13(1) (2011) 126-129 Space group: P -1 Cell volume: 1575.6 Cell parameters: 11.2893; 11.9604; 12.11; 84.75; 84.635; 76.004; |
| COD ID: 1501888 | |
| CIF file | Formula: - C58 H44 N8 O10 S4 - Comments: Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters 13(1) (2011) 126-129 Space group: C 1 2/c 1 Cell volume: 5461.9 Cell parameters: 23.242; 7.8358; 30.029; 90; 92.897; 90; |
| COD ID: 1501889 | |
| CIF file | Formula: - C49 H32 N6 O7 S - Comments: Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters 13(1) (2011) 126-129 Space group: P 1 21/c 1 Cell volume: 4084.9 Cell parameters: 15.0733; 19.7051; 14.1933; 90; 104.311; 90; |
| COD ID: 1501890 | |
| CIF file | Formula: - C21 H20 N4 O5 - Comments: Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones. Organic letters 13(1) (2011) 134-137 Space group: P 1 21/n 1 Cell volume: 1932.1 Cell parameters: 11.864; 8.768; 18.696; 90; 96.548; 90; |
| COD ID: 1501891 | |
| CIF file | Formula: - C35 H36 N4 O6 - Comments: Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones. Organic letters 13(1) (2011) 134-137 Space group: P 1 21/c 1 Cell volume: 3161.9 Cell parameters: 14.854; 10.059; 22.557; 90; 110.26; 90; |
| COD ID: 1501892 | |
| CIF file | Formula: - C25 H36 N2 O3 S Si - Comments: Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E. Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine. Organic letters 13(1) (2011) 138-141 Space group: P 1 21/c 1 Cell volume: 2476.6 Cell parameters: 10.2168; 15.2722; 16.1196; 90; 100.054; 90; |
| COD ID: 1501893 | |
| CIF file | Formula: - C18 H18 N2 O3 - Comments: Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E. Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine. Organic letters 13(1) (2011) 138-141 Space group: P 1 21/c 1 Cell volume: 1445.8 Cell parameters: 8.3797; 14.5146; 12.1909; 90; 102.819; 90; |
| COD ID: 1501894 | |
| CIF file | Formula: - C25 H20 N2 O3 S - Comments: Barroso, Santiago; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R Highly enantioselective nitrone cycloadditions with 2-alkenoyl pyridine N-oxides catalyzed by Cu(II)-BOX complexes. Organic letters 13(3) (2011) 402-405 Space group: P 21 21 21 Cell volume: 2103.36 Cell parameters: 8.007; 15.022; 17.487; 90; 90; 90; |
| COD ID: 1501895 | |
| CIF file | Formula: - C31 H35 Cl O5 - Comments: Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones. Organic letters 13(4) (2011) 580-583 Space group: P 1 21/c 1 Cell volume: 2919.2 Cell parameters: 14.697; 14.329; 14.303; 90; 104.267; 90; |
| COD ID: 1501896 | |
| CIF file | Formula: - C36 H30 N2 O8 - Comments: Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones. Organic letters 13(4) (2011) 580-583 Space group: P 1 21/c 1 Cell volume: 3041.9 Cell parameters: 11.6425; 22.489; 11.6436; 90; 93.811; 90; |
| COD ID: 1501897 | |
| CIF file | Formula: - C18 H19 Cl N2 O - Comments: Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines). Organic letters 13(2) (2011) 296-299 Space group: P 1 21/c 1 Cell volume: 1607.7 Cell parameters: 16.398; 7.6279; 13.045; 90; 99.836; 90; |
| COD ID: 1501898 | |
| CIF file | Formula: - C18 H19 Cl N2 O - Comments: Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines). Organic letters 13(2) (2011) 296-299 Space group: P 1 21/n 1 Cell volume: 1618.2 Cell parameters: 7.9594; 11.7961; 17.4102; 90; 98.137; 90; |
| COD ID: 1501899 | |
| CIF file | Formula: - C18 H19 F N2 O - Comments: Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines). Organic letters 13(2) (2011) 296-299 Space group: P 1 21/n 1 Cell volume: 1542.5 Cell parameters: 9.0491; 18.07; 9.4597; 90; 94.301; 90; |
| COD ID: 1501900 | |
| CIF file | Formula: - C25 H25 Cl N2 O2 - Comments: Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines). Organic letters 13(2) (2011) 296-299 Space group: P 1 21/c 1 Cell volume: 2179.9 Cell parameters: 14.655; 11.644; 14.194; 90; 115.844; 90; |
| COD ID: 1501901 | |
| CIF file | Formula: - C42 H42 B N - Comments: Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane Organic Letters 13(2) (2011) 300-303 Space group: P c a 21 Cell volume: 3295.9 Cell parameters: 23.245; 11.539; 12.288; 90; 90; 90; |
| COD ID: 1501902 | |
| CIF file | Formula: - C28 H36 N2 O4 S2 - Comments: Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers. Organic letters 13(1) (2011) 38-41 Space group: P -1 Cell volume: 652.6 Cell parameters: 4.9317; 8.7095; 16.1625; 74.714; 85.557; 77.087; |
| COD ID: 1501903 | |
| CIF file | Formula: - C35 H37 Br2 Cl3 N4 O4 S3 - Comments: Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers. Organic letters 13(1) (2011) 38-41 Space group: P -1 Cell volume: 2014.3 Cell parameters: 6.9848; 17.225; 17.991; 71.97; 84.512; 78.304; |
| COD ID: 1501904 | |
| CIF file | Formula: - C28 H38 O10 - Comments: Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis. Organic letters 13(3) (2011) 446-449 Space group: P 21 21 21 Cell volume: 2662.93 Cell parameters: 10.3366; 10.93; 23.5701; 90; 90; 90; |
| COD ID: 1501905 | |
| CIF file | Formula: - C26 H25 N3 O6 S - Comments: Chen, Zhiyuan; Zheng, Danqing; Wu, Jie A facile route to polysubstituted indoles via three-component reaction of 2-ethynylaniline, sulfonyl azide, and nitroolefin. Organic letters 13(5) (2011) 848-851 Space group: P 1 21/n 1 Cell volume: 2484 Cell parameters: 9.146; 10.974; 24.749; 90; 90.258; 90; |
| COD ID: 1501906 | |
| CIF file | Formula: - C20 H22 O4 - Comments: Clavier, Hervé; Le Jeune, Karel; de Riggi, Innocenzo; Tenaglia, Alphonse; Buono, Gérard Highly selective cobalt-mediated [6 + 2] cycloaddition of cycloheptatriene and allenes. Organic letters 13(2) (2011) 308-311 Space group: P 1 21/c 1 Cell volume: 1728.75 Cell parameters: 6.6653; 8.3058; 31.2578; 90; 92.539; 90; |
| COD ID: 1501907 | |
| CIF file | Formula: - C9 H18 Cl N - Comments: Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M. 2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis. Organic letters 13(5) (2011) 836-839 Space group: P 1 21 1 Cell volume: 495.13 Cell parameters: 6.0676; 10.7264; 7.8745; 90; 104.958; 90; |
| COD ID: 1501908 | |
| CIF file | Formula: - C15 H7 Br Cl F3 N2 - Comments: Martin, Laetitia J.; Marzinzik, Andreas L.; Ley, Steven V.; Baxendale, Ian R. Safe and reliable synthesis of diazoketones and quinoxalines in a continuous flow reactor. Organic letters 13(2) (2011) 320-323 Space group: P -1 Cell volume: 1375 Cell parameters: 9.74; 10.58; 13.367; 87.975; 87.647; 88.54; |
| COD ID: 1501909 | |
| CIF file | Formula: - C28 H24 O2 - Comments: Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K. Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols. Organic letters 13(1) (2011) 168-171 Space group: P 21 21 21 Cell volume: 2151.9 Cell parameters: 11.083; 12.964; 14.977; 90; 90; 90; |
| COD ID: 1501910 | |
| CIF file | Formula: - C29 H26 O2 - Comments: Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K. Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols. Organic letters 13(1) (2011) 168-171 Space group: P 21 21 21 Cell volume: 2198.3 Cell parameters: 6.1374; 11.8458; 30.2363; 90; 90; 90; |
| COD ID: 1501911 | |
| CIF file | Formula: - C23 H26 N4 O5 - Comments: Yang, Zhigang; Wang, Zhen; Bai, Sha; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Asymmetric α-amination of 4-substituted pyrazolones catalyzed by a chiral Gd(OTf)3/N,N'-dioxide complex: highly enantioselective synthesis of 4-amino-5-pyrazolone derivatives. Organic letters 13(4) (2011) 596-599 Space group: C 1 2 1 Cell volume: 2368.2 Cell parameters: 17.639; 13.026; 12.1899; 90; 122.269; 90; |
| COD ID: 1501912 | |
| CIF file | Formula: - C17 H13 Cl O2 - Comments: Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine Organic Letters 13(3) (2011) 466-469 Space group: P 1 21 1 Cell volume: 689.98 Cell parameters: 8.1646; 5.2885; 16.1885; 90; 99.21; 90; |
| COD ID: 1501913 | |
| CIF file | Formula: - C23 H23 N O6 S - Comments: Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine Organic Letters 13(3) (2011) 466-469 Space group: P -1 Cell volume: 1093.62 Cell parameters: 10.2477; 10.6579; 11.7877; 97.636; 99.784; 117.355; |
| COD ID: 1501914 | |
| CIF file | Formula: - C17 H14 O2 - Comments: Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine Organic Letters 13(3) (2011) 466-469 Space group: P 1 21/c 1 Cell volume: 5129.9 Cell parameters: 10.6114; 10.5287; 46.396; 90; 98.255; 90; |
| COD ID: 1501915 | |
| CIF file | Formula: - C32 H23 N - Comments: Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction. Organic letters 13(3) (2011) 478-481 Space group: P n a 21 Cell volume: 2312.8 Cell parameters: 17.827; 11.746; 11.045; 90; 90; 90; |
| COD ID: 1501916 | |
| CIF file | Formula: - C16 H16 N2 O - Comments: D'Souza, Asha M; Spiccia, Nadia; Basutto, Jose; Jokisz, Pawel; Wong, Leon S.-M.; Meyer, Adam G.; Holmes, Andrew B.; White, Jonathan M.; Ryan, John H. 1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones. Organic letters 13(3) (2011) 486-489 Space group: P 1 21/c 1 Cell volume: 1330.29 Cell parameters: 11.0997; 8.6383; 13.8782; 90; 91.386; 90; |
| COD ID: 1501917 | |
| CIF file | Formula: - C24 H23 N O4 - Comments: Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization. Organic letters 13(4) (2011) 600-603 Space group: P 1 21 1 Cell volume: 1006.5 Cell parameters: 7.7205; 14.032; 9.5919; 90; 104.39; 90; |
| COD ID: 1501918 | |
| CIF file | Formula: - C44 H60 N4 O4 - Comments: Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether. Organic letters 13(3) (2011) 490-493 Space group: P 1 21/n 1 Cell volume: 4288.4 Cell parameters: 12.7494; 16.1119; 21.2918; 90; 101.332; 90; |
| COD ID: 1501919 | |
| CIF file | Formula: - C55 H75 N5 O5 - Comments: Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether. Organic letters 13(3) (2011) 490-493 Space group: P 1 21/c 1 Cell volume: 5690.76 Cell parameters: 17.115; 13.105; 26.8951; 90; 109.374; 90; |
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