Crystallography Open Database

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7229365 CIFC26 H20 Cu N2 O2P 1 21/n 111.9298; 7.9557; 12.2145
90; 112.172; 90
1073.55Zhao, Liang; Wei, Jianwei; Zhang, Feili; He, Cheng; Zheng, Sijia; Duan, Chunying
Redox-active copper triangles as an enzymatic molecular flask for light-driven hydrogen production
RSC Adv., 2017, 7, 48989
7229370 CIFC2 H8 N10 O2I -47.5982; 7.5982; 13.294
90; 90; 90
767.5Jia, Jianhui; Liu, Yu; Huang, Shiliang; Xu, Jinjiang; Li, Shichun; Zhang, Haobin; Cao, Xiong
Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
RSC Adv., 2017, 7, 49105
7229381 CIFC26 H34 N4 O5P 21 21 229.942; 12.1964; 6.85035
90; 90; 90
2501.64Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan
Versicotides D‒F, new cyclopeptides with lipid-lowering activities
RSC Adv., 2017, 7, 49235
7229382 CIFC27 H33 N5 O6P 21 21 218.58993; 10.68072; 28.6559
90; 90; 90
2629.08Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan
Versicotides D‒F, new cyclopeptides with lipid-lowering activities
RSC Adv., 2017, 7, 49235
7229383 CIFC26 H33 N5 O6P 1 21 19.91935; 8.16154; 15.73111
90; 92.8934; 90
1271.92Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan
Versicotides D‒F, new cyclopeptides with lipid-lowering activities
RSC Adv., 2017, 7, 49235
7229384 CIFC52 H41 Co N7 O4P 1 21/n 110.2454; 23.167; 19.249
90; 103.024; 90
4451.3Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun
Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity
RSC Adv., 2017, 7, 49404
7229385 CIFC52 H41 N7 Ni O4P 1 21/n 110.252; 23.344; 19.134
90; 103.243; 90
4457Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun
Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity
RSC Adv., 2017, 7, 49404
7229393 CIFC26 H26 N2 O5 SP 1 21 18.7588; 15.745; 17.316
90; 99.308; 90
2356.6Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei
Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling
RSC Adv., 2017, 7, 49436
7229394 CIFC26 H21 Cl N2 O6 SP 1 21/n 18.9158; 9.195; 29.183
90; 95.779; 90
2380.3Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei
Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling
RSC Adv., 2017, 7, 49436
7229398 CIFC34 H29 F2 N O6P -110.0453; 13.561; 13.8814
113.863; 108.606; 92.439
1606.5Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin
Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes
RSC Adv., 2017, 7, 49810
7229399 CIFC38 H33 Cl2 N3 O4P b c a9.1935; 24.235; 30.404
90; 90; 90
6774.1Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin
Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes
RSC Adv., 2017, 7, 49810
7229400 CIFC42 H38 Cd3 N2 O21P b a m17.038; 20.632; 29.069
90; 90; 90
10219Du, Jian-Long; Gao, Ju-Ping; Li, Chao-Ping; Zhang, Xiao-Ying; Hou, Jin-Xin; Jing, Xu; Mu, Ya-Juan; Li, Li-Jun
A stable 3D Cd(ii) metal‒organic framework for highly sensitive detection of Cu2+ ions and nitroaromatic explosives
RSC Adv., 2017, 7, 49618
7229401 CIFC39 H53 Dy N2 O6P 1 21/c 112.878; 24.058; 16.567
90; 128.376; 90
4024Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming
Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs
RSC Adv., 2017, 7, 49701
7229402 CIFC28 H48 Dy O7P 1 2/c 116.643; 12.983; 18.688
90; 119.996; 90
3497Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming
Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs
RSC Adv., 2017, 7, 49701
7229403 CIFC37 H47 Dy N2 O6P -113.266; 16.803; 18.056
92.267; 94.493; 92.591
4005Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming
Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs
RSC Adv., 2017, 7, 49701
7229404 CIFC37 H53 Lu N2 O6P -112.91; 16.376; 17.851
90.622; 94.243; 90.447
3763Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming
Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs
RSC Adv., 2017, 7, 49701
7229405 CIFC22 H26 Ga N3 O7P 1 21/c 112.96001; 7.01939; 25.091
90; 97.77; 90
2261.61Tsionou, Maria Iris; Knapp, Caroline E.; Foley, Calum A.; Munteanu, Catherine R.; Cakebread, Andrew; Imberti, Cinzia; Eykyn, Thomas R.; Young, Jennifer D.; Paterson, Brett M.; Blower, Philip J.; Ma, Michelle T.
Comparison of macrocyclic and acyclic chelators for gallium-68 radiolabelling
RSC Adv., 2017, 7, 49586
7229409 CIFC22.5 H20.5 N5.5 O6.5 ZnP 1 21/n 112.208; 13.002; 16.101
90; 104.197; 90
2477.6Li, Huijun; He, Yaling; Li, Qingqing; Li, Shaojie; Yi, Zhihao; Xu, Zhouqing; Wang, Yuan
Highly sensitive and selective fluorescent probe for Fe3+ and hazardous phenol compounds based on a water-stable Zn-based metal‒organic framework in aqueous media
RSC Adv., 2017, 7, 50035
7229410 CIFC23 H30 O5P 21 21 2110.8825; 13.4584; 13.6472
90; 90; 90
1998.78Zhang, Panpan; Li, Yongfang; Jia, Chunxiu; Lang, Jiajia; Niaz, Shah-Iram; Li, Jing; Yuan, Jie; Yu, Jianchen; Chen, Senhua; Liu, Lan
Antiviral and anti-inflammatory meroterpenoids: stachybonoids A‒F from the crinoid-derived fungus Stachybotrys chartarum 952
RSC Adv., 2017, 7, 49910
7229411 CIFC18 H27 N5 OC 1 2/c 125.2277; 8.2188; 17.5148
90; 99.025; 90
3586.6Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes
RSC Adv., 2017, 7, 49995
7229412 CIFC18 H35 N5 OP 1 21/c 112.4795; 15.9839; 10.6108
90; 112.921; 90
1949.4Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes
RSC Adv., 2017, 7, 49995
7229413 CIFC53 H44 I O3 P4 Rh2P -114.3031; 18.7654; 20.9726
81.03; 84.861; 79.291
5452.8Chen, Yingzan; Liu, Dianhua; Yu, Yi
Insights into the ligand effects of rhodium catalysts toward reductive carbonylation of methanol to ethanol
RSC Adv., 2017, 7, 49875
7229417 CIFCa2.92 H0.8 Na2 O18 Si6 Tb1.08P -17.056; 7.075; 8.029
102.381; 95.387; 90.552
389.6Bao, Xinjian; Liu, Xiaoyang; Liu, Xi
High-pressure synthesis, crystal structure and photoluminescence properties of a new terbium silicate: Na2Tb1.08Ca2.92Si6O18H0.8
RSC Adv., 2017, 7, 50195
7229418 CIFC6 H6 Co N8 O4C 1 2/c 114.4184; 8.3825; 9.4836
90; 118.531; 90
1007.01Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua
The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand
RSC Adv., 2017, 7, 50150
7229419 CIFC6 H6 Mn N8 O4C 1 2/c 114.722; 8.4723; 9.6326
90; 119.062; 90
1050.2Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua
The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand
RSC Adv., 2017, 7, 50150
7229420 CIFC6 H6 N8 Ni O4C 1 2/c 114.285; 8.3073; 9.47
90; 118.178; 90
990.6Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua
The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand
RSC Adv., 2017, 7, 50150
7229456 CIFC23 H20 N2 SP 1 21/c 112.0528; 7.544; 40.438
90; 90.907; 90
3676.4Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min
Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication
RSC Adv., 2017, 7, 50720
7229457 CIFC21 H18 N2 SP 1 21/c 16.1982; 24.956; 10.855
90; 97.234; 90
1665.7Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min
Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication
RSC Adv., 2017, 7, 50720
7229458 CIFC98 H92 F6 Fe N8 O8 S2P -113.2342; 13.5131; 13.7025
98.006; 116.199; 93.349
2157.4Li, Jia; Banerjee, Atanu; Hasse, Timothy A.; Loloee, Reza; Biros, Shannon M.; Staples, Richard J.; Chavez, Ferman A.
Synthesis and reactivity of a 4His enzyme model complex
RSC Adv., 2017, 7, 50713
7229459 CIFC50 H30 Cl6 F10 N4 O4P 1 21/c 113.948; 15.6771; 11.2006
90; 109.177; 90
2313.3Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.
Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins
RSC Adv., 2017, 7, 50610
7229460 CIFC50 H30 Cl6 F10 N4 O4I 1 2/a 112.0821; 17.9808; 22.7546
90; 96.032; 90
4915.97Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.
Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins
RSC Adv., 2017, 7, 50610
7229461 CIFC47 H22 F15 N4 O3C 1 c 111.536; 26.8989; 15.0809
90; 109.961; 90
4398.56Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.
Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins
RSC Adv., 2017, 7, 50610
7229463 CIFC13 H12 F3 N O2P 1 21/c 113.578; 10.2118; 9.1356
90; 97.423; 90
1256.1Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.
Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines
RSC Advances, 2017, 7, 50955
7229464 CIFC14 H14 F3 N O3P -17.961; 10.047; 10.047
115.086; 106.138; 90.896
690.8Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.
Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines
RSC Advances, 2017, 7, 50955
7229465 CIFC14 H17 Br Cl N OP 1 21/n 15.038; 24.005; 12.287
90; 99.804; 90
1464.3Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.
Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines
RSC Advances, 2017, 7, 50955
7229466 CIFC13 H11 F4 N O2P n a 2123.9; 5.288; 10.524
90; 90; 90
1330Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.
Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines
RSC Advances, 2017, 7, 50955
7229467 CIFC16 H19 Cu N7 O7P 1 21/n 19.6735; 17.4644; 12.1452
90; 103.407; 90
1995.9Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229468 CIFC16 H19 Br2 Cu N5 OP -19.6841; 10.0927; 10.4709
91.231; 92.328; 117.823
903.4Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229469 CIFC15 H15 Br2 Mn N5P -17.6305; 8.9863; 13.5352
83.946; 75.427; 67.854
831.92Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229470 CIFC18 H19 Cu F6 N5 O7 S2P -18.0767; 11.3717; 13.9815
76.3; 82.265; 85.663
1234.98Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229471 CIFC17 H21 Cl2 Co N5 OP b c a11.59108; 15.95415; 20.3432
90; 90; 90
3761.98Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229472 CIFC34 H33 F6 Fe N11 O6 S2P 1 21/n 19.7491; 16.1976; 24.3248
90; 95.452; 90
3823.8Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
RSC Advances, 2017, 7, 50858
7229473 CIFC18 H24 N2 O6 SP 21 21 2110.9782; 11.233; 16.728
90; 90; 90
2062.9Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin
Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate
RSC Advances, 2017, 7, 50822
7229474 CIFC26 H29 Br N2 O5 SP 21 21 2110.0662; 15.17; 17.178
90; 90; 90
2623.2Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin
Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate
RSC Advances, 2017, 7, 50822
7229475 CIFC18 H25 N O4 SP 21 21 2110.551; 11.366; 16.422
90; 90; 90
1969Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin
Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate
RSC Advances, 2017, 7, 50822
7229476 CIFC29 H36 O6P 21 21 2116.1444; 16.5294; 19.7875
90; 90; 90
5280.4Sun, Zhenliang; Lv, Zhiliang; Hu, Bin; Zhang, Jifa; Du, Peng; Wang, Man; Xiao, Linlin; Yang, Peiming
Isolation, structure elucidation, and KDD study of (−)-Celosine, a new skeleton with potent anti-atherosclerosis activity
RSC Advances, 2017, 7, 50875
7229490 CIFC12 H11 N5 OP 1 21/c 16.9778; 12.4862; 12.6501
90; 93.808; 90
1099.72Lim, Felicia Phei Lin; Low, Szy Teng; Ho, Elvina Lee King; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Dolzhenko, Anton V.
A multicomponent reaction of 2-aminoimidazoles: microwave-assisted synthesis of novel 5-aza-7-deaza-adenines
RSC Advances, 2017, 7, 51062
7229491 CIFC28 H24 Cd N6 O4 PP 1 21/c 117.9427; 26.5356; 8.4262
90; 101.462; 90
3931.9Guo, Mingming; Guo, Huadong; Liu, Siyu; Sun, Yingying; Guo, Xianmin
A microporous cationic metal‒organic framework for the efficient removal of dichromate and the selective adsorption of dyes from water
RSC Advances, 2017, 7, 51021
7229496 CIFC32 H22 Cl4 Cu2 N6P 1 21/c 111.2017; 17.1297; 9.488
90; 112.712; 90
1679.4Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai
Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity
RSC Advances, 2017, 7, 51162
7229497 CIFC34 H26 Br Cu N3 PP 1 21/n 19.81614; 15.9919; 18.4289
90; 96.1399; 90
2876.35Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai
Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity
RSC Advances, 2017, 7, 51162

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