Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7238937 | CIF | C17 H18 O4 | P 1 21/c 1 | 9.4369; 17.895; 8.6611 90; 91.58; 90 | 1462.1 | Wang, Qiang; Xu, Zhouqing; Fan, Xuesen Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate RSC Advances, 2013, 3, 4156 |
| 7238938 | CIF | C32 H27 N4 O8 | P -1 | 10.085; 11.302; 13.269 80.76; 78.81; 82.3 | 1456.1 | Wang, Qiang; Xu, Zhouqing; Fan, Xuesen Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate RSC Advances, 2013, 3, 4156 |
| 7238939 | CIF | C21 H24 N2 O | C 1 2/c 1 | 34.3374; 6.0181; 18.6307 90; 104.012; 90 | 3735.4 | Bag, Subhendu Sekhar; Ghorai, Samir; Jana, Subhashis; Mukherjee, Chandan Solvatochromic fluorescent cyanophenoxazine: design, synthesis, photophysical properties and fluorescence light-up sensing of ct-DNA RSC Advances, 2013, 3, 5374 |
| 7238940 | CIF | C23 H28 N O5 P | P 1 21/c 1 | 9.184; 18.429; 13.3004 90; 94.728; 90 | 2243.5 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238941 | CIF | C25 H30 N O5 P | P -1 | 10.2612; 11.1638; 11.3877 88.85; 70.398; 70.439 | 1151.71 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238942 | CIF | C26 H32 N O5 P | P -1 | 10.3639; 11.35; 11.563 87.909; 70.26; 69.399 | 1193.1 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238943 | CIF | C26 H32 N O5 P | P 1 21 1 | 12.4626; 8.235; 12.6582 90; 114.56; 90 | 1181.57 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238944 | CIF | C96 H102 N4 O9 | P 1 | 9.2805; 12.9476; 16.1252 99.392; 91.714; 90.912 | 1910.35 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238945 | CIF | C96 H102 N4 O9 | P 1 | 9.3543; 13.0737; 16.3819 99.063; 91.667; 90.832 | 1977.21 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238946 | CIF | C54 H68 N2 O10 P2 | P 1 21 1 | 15.3327; 9.0849; 19.0305 90; 101.416; 90 | 2598.4 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238947 | CIF | C54 H68 N2 O10 P2 | P 1 21 1 | 15.3297; 9.0879; 19.0093 90; 101.437; 90 | 2595.69 | Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H. Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons RSC Advances, 2013, 3, 6821 |
| 7238948 | CIF | C15 H22 N2 | P 21 21 21 | 10.0647; 13.9863; 20.4134 90; 90; 90 | 2873.6 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238949 | CIF | C22 H24 N4 | P 1 21/n 1 | 8.531; 18.801; 11.864 90; 108.015; 90 | 1809.6 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238950 | CIF | C14 H16 N2 O | P b c a | 12.9488; 14.6721; 25.565 90; 90; 90 | 4857 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238951 | CIF | C14 H16 N2 O | P b c n | 16.4455; 7.7792; 18.8199 90; 90; 90 | 2407.68 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238952 | CIF | C10 H11 N O | P 1 21/n 1 | 10.024; 5.3217; 16.2081 90; 94.059; 90 | 862.45 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238953 | CIF | C18 H21 N3 | P 1 21/n 1 | 17.324; 9.7036; 18.044 90; 91.045; 90 | 3032.8 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238954 | CIF | C14 H16 N2 O | P 1 21/c 1 | 15.422; 9.7194; 17.4527 90; 110.396; 90 | 2452 | Mahanta, Sanjeev P.; Panda, Pradeepta K. Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features RSC Adv., 2013, 3, 6614 |
| 7238955 | CIF | Mo O6 Te Zn | P 21 21 2 | 5.0442; 5.2642; 8.9187 90; 90; 90 | 236.82 | Zhao, Sangen; Luo, Junhua; Zhou, Pan; Zhang, Shu-Quan; Sun, Zhihua; Hong, Maochun ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units RSC Advances, 2013, 3, 14000 |
| 7238956 | CIF | C28 H24 N2 O | P 1 21/n 1 | 8.0693; 14.737; 18.6512 90; 93.62; 90 | 2213.5 | Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles RSC Advances, 2013, 3, 5056 |
| 7238957 | CIF | C27 H25 N O2 S | P -1 | 10.5132; 10.604; 22.086 78.682; 84.544; 72.606 | 2302.2 | Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles RSC Advances, 2013, 3, 5056 |
| 7238958 | CIF | C25 H21 Br2 Cl N2 O2 | P -1 | 11.9309; 14.0473; 15.0113 100.801; 90.905; 97.856 | 2445.9 | Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles RSC Advances, 2013, 3, 5056 |
| 7238959 | CIF | C15 H11 N O3 S | P 1 21/c 1 | 12.6212; 6.9825; 15.3469 90; 101.991; 90 | 1322.97 | Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines RSC Advances, 2013, 3, 11502 |
| 7238960 | CIF | C21 H25 N O5 S | P 1 21/n 1 | 9.8446; 14.244; 15.0095 90; 97.378; 90 | 2087.3 | Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines RSC Advances, 2013, 3, 11502 |
| 7238961 | CIF | C21 H24 N4 O2 | P 1 21/c 1 | 5.4787; 21.0779; 16.8942 90; 93.526; 90 | 1947.24 | Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines RSC Advances, 2013, 3, 11502 |
| 7238962 | CIF | C15 H11 Br2 Cl O | P b c a | 5.871; 16.844; 29.189 90; 90; 90 | 2887 | Xue, Hongxun; Tan, Hui; Wei, Donglei; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhao, Baozhong N-Bromosuccinimide‒carboxylic acid combination: mild and efficient access to dibromination of unsaturated carbonyl compounds RSC Advances, 2013, 3, 5382 |
| 7238963 | CIF | C72 H160 Cl2 Dy2 O58 V12 | I 41/a m d :2 | 22.833; 22.833; 25.201 90; 90; 90 | 13138 | Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K. Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters RSC Advances, 2013, 3, 6299 |
| 7238964 | CIF | C54 H123 Cl2 Dy2 O53 V12 | P b c a | 19.4147; 20.993; 46.517 90; 90; 90 | 18959 | Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K. Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters RSC Advances, 2013, 3, 6299 |
| 7238965 | CIF | C4 H7 N9 O6 | P 1 21/c 1 | 10.71; 13.065; 7.573 90; 97.613; 90 | 1050.3 | Song, Jinhong; Wang, Kai; Liang, Lixuan; Bian, Chengming; Zhou, Zhiming High-energy-density materials based on 1-nitramino-2,4-dinitroimidazole RSC Advances, 2013, 3, 10859 |
| 7238966 | CIF | C15 H11 N3 S | P -1 | 8.5763; 11.3553; 14.2144 88.862; 73.88; 85.889 | 1326.44 | Ramulu, B. Janaki; Chanda, Tanmoy; Chowdhury, Sushobhan; Nandi, Ganesh C.; Singh, Maya Shankar Organocatalyzed straightforward synthesis of highly fluorescent 3,5-disubstituted 2,6-dicyanoanilines via domino annulation of α-enolicdithioesters with malononitrile RSC Advances, 2013, 3, 5345 |
| 7238967 | CIF | C8 H12 O5 | P -1 | 5.8622; 5.9939; 14.537 91.77; 99.179; 117.482 | 444.15 | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick RSC Advances, 2013, 3, 7265 |
| 7238968 | CIF | C11 H16 O5 | P 1 21/c 1 | 19.425; 6.0562; 20.621 90; 116.361; 90 | 2173.6 | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick RSC Advances, 2013, 3, 7265 |
| 7238969 | CIF | C12 H18 O5 | P -1 | 6.0548; 6.263; 17.151 92.206; 90.083; 115.426 | 586.8 | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick RSC Advances, 2013, 3, 7265 |
| 7238970 | CIF | C12 H11 N O7 | P 1 21/c 1 | 9.8007; 6.1104; 21.5634 90; 112.699; 90 | 1191.33 | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick RSC Advances, 2013, 3, 7265 |
| 7238971 | CIF | C13 H18 O6 | C 1 2 1 | 14.7073; 12.5151; 7.3471 90; 96.386; 90 | 1343.94 | Huang, Xiao-Jun; Wang, Lei; Shao, Meng; Hu, Shu-Zhi; Jiang, Ren-Wang; Yao, Xin-Sheng; Li, Yao-Lan; Yin, Zhi-Qi; Wang, Ying; Ye, Wen-Cai Oleonin, the first secoiridoid with 1α-configuration from Ligustrum lucidum RSC Advances, 2013, 3, 16300 |
| 7238972 | CIF | C24 H20 N4 | P c c n | 9.3776; 13.9561; 14.0544 90; 90; 90 | 1839.37 | Iwakura, Izumi; Kato, Saki; Hino, Ryotaro; Fukumoto, Ayumu; Komori-Orisaku, Keiko; Koide, Yoshihiro Pulsed Nd:YAG laser induced high throughput stereospecific [2 + 2] cycloaddition of highly organized 1,2-bis(4-pyridyl)ethylene in a supramolecular scaffold RSC Advances, 2013, 3, 5354 |
| 7238973 | CIF | C30 H23 N O2 S | P 1 21/c 1 | 12.023; 12.412; 16.806 90; 109.855; 90 | 2359 | Xiao, Qing; Luo, Yong; Yan, Yujun; Ding, Qiuping; Wu, Jie A palladium-catalyzed reaction of 2-alkynylbromobenzene with 2-(2-alkynyl)benzenesulfonamide RSC Advances, 2013, 3, 5779 |
| 7238974 | CIF | C34 H24 | P 1 21/c 1 | 16.85; 6.4351; 22.782 90; 107.41; 90 | 2357.1 | Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE RSC Advances, 2013, 3, 14950 |
| 7238975 | CIF | C34 H24 | P 1 21/n 1 | 15.7869; 6.0629; 25.6359 90; 107.102; 90 | 2345.23 | Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE RSC Advances, 2013, 3, 14950 |
| 7238976 | CIF | C30 H18 Cl2 N2 O | P -1 | 8.781; 10.43; 13.144 87.774; 82.039; 80.848 | 1176.9 | Liu, Gang; Liu, Hongliang; Pu, Shouzhi; Wu, Jie An unexpected silver triflate-catalyzed reaction of 2-alkynylbenzaldoxime in the presence of benzoyl chloride RSC Advances, 2013, 3, 10666 |
| 7238977 | CIF | C29 H21 B Cl2 F2 Ir N3 O3 | P n a 21 | 12.522; 22.397; 9.999 90; 90; 90 | 2804.3 | Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging RSC Advances, 2013, 3, 8766 |
| 7238978 | CIF | C41 H41 N2 O10 | C 1 2/c 1 | 26.5063; 14.8912; 19.0898 90; 100.821; 90 | 7401 | Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones RSC Advances, 2013, 3, 6408 |
| 7238979 | CIF | C43 H44 N2 O9 | P 1 21/c 1 | 11.8216; 19.5371; 17.1819 90; 108.392; 90 | 3765.6 | Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones RSC Advances, 2013, 3, 6408 |
| 7238980 | CIF | C20 H27 N3 O8 | C 1 2 1 | 29.474; 5.5845; 14.548 90; 111.92; 90 | 2221.5 | Soni, Kiran; Sah, Ajay K. Alanyl glycoconjugate: a selective receptor for free and protein-bound tryptophan RSC Advances, 2013, 3, 12096 |
| 7238981 | CIF | C15 H10 Br2 N2 | P 1 21/c 1 | 13.8463; 10.151; 10.2472 90; 91.449; 90 | 1439.8 | Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles RSC Advances, 2013, 3, 6807 |
| 7238982 | CIF | C15 H10 Br Cl N2 | P 1 21/c 1 | 13.499; 10.1988; 10.2864 90; 92.019; 90 | 1415.3 | Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles RSC Advances, 2013, 3, 6807 |
| 7238983 | CIF | C9 H16 F3 N O4 S | P 21 21 21 | 10.706; 14.746; 16.87 90; 90; 90 | 2663.3 | Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E. New asymmetric approach to β-trifluoromethyl isoserines RSC Advances, 2013, 3, 6479 |
| 7238984 | CIF | C14 H24 F3 N O6 S | P 21 21 2 | 25.049; 8.4762; 8.8991 90; 90; 90 | 1889.5 | Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E. New asymmetric approach to β-trifluoromethyl isoserines RSC Advances, 2013, 3, 6479 |
| 7238985 | CIF | C30 H28 O4 | P 1 21/c 1 | 9.689; 15.769; 18.511 90; 119.76; 90 | 2455 | Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations RSC Advances, 2013, 3, 7996 |
| 7238986 | CIF | C30 H28 O4 | C 1 2 1 | 19.567; 5.624; 13.776 90; 125.66; 90 | 1231.7 | Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations RSC Advances, 2013, 3, 7996 |
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