Crystallography Open Database

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7220545 CIFC29 H39 N11 Ni O5 S2C 1 2/c 119.2985; 11.9741; 15.3857
90; 106.181; 90
3414.5Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy
Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes
RSC Adv., 2015, 5, 46031
7220548 CIFC15 H28 O3P 21 21 216.30805; 14.8331; 16.7092
90; 90; 90
1563.45Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng
4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi
RSC Adv., 2015, 5, 46252
7220549 CIFC15 H22 O3P 21 21 219.13361; 10.68806; 13.75024
90; 90; 90
1342.31Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng
4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi
RSC Adv., 2015, 5, 46252
7220550 CIFC15 H22 O2P 21 21 218.8587; 10.9481; 13.7817
90; 90; 90
1336.63Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng
4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi
RSC Adv., 2015, 5, 46252
7220579 CIFC11 H8 N4 O3P 1 21/n 16.574; 22.414; 7.9769
90; 113.126; 90
1080.9Fershtat, Leonid L.; Ananyev, Ivan V.; Makhova, Nina N.
Efficient assembly of mono- and bis(1,2,4-oxadiazol-3-yl)furoxan scaffolds via tandem reactions of furoxanylamidoximes
RSC Adv., 2015, 5, 47248
7220588 CIFC6 H6 N2 O6 PtP 1 21/c 18.2784; 7.0371; 16.043
90; 99.097; 90
922.8Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun
Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking
RSC Adv., 2015, 5, 47798
7220589 CIFC7 H9 N O7 PtP 1 21/c 17.6445; 18.415; 7.137
90; 96.371; 90
998.5Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun
Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking
RSC Adv., 2015, 5, 47798
7220646 CIFC2 H2 Eu K N0 O9 SP 1 21/c 16.603; 8.575; 14.794
90; 112.346; 90
774.7Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu
Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture
RSC Adv., 2015, 5, 49110
7220647 CIFC2 H2 K O9 S TbP 1 21/c 16.574; 8.561; 14.775
90; 112.6; 90
767.7Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu
Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture
RSC Adv., 2015, 5, 49110
7220648 CIFC2 H2 Dy K O9 SP 1 21/c 16.551; 8.512; 14.719
90; 112.515; 90
758.2Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu
Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture
RSC Adv., 2015, 5, 49110
7220666 CIFC28 H18 N12 O8 Zn3C 1 2/c 120.861; 15.959; 13.286
90; 96.789; 90
4392Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min
Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives
RSC Adv., 2015, 5, 49606
7220667 CIFC18 H9 Br N6 O5 Zn2P 1 21/c 116.279; 6.82; 23.711
90; 103.97; 90
2555Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min
Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives
RSC Adv., 2015, 5, 49606
7220668 CIFC50 H49 N O2P b c a16.3265; 18.2018; 26.5776
90; 90; 90
7898.11Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.
Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles
RSC Adv., 2015, 5, 49577
7220669 CIFC101 H102 N2 O5P 1 21/n 120.8163; 7.6277; 26.4292
90; 91.0202; 90
4195.78Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.
Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles
RSC Adv., 2015, 5, 49577
7220673 CIFC30 H28 N2 O5 SP 1 21/n 113.2726; 14.2499; 13.8765
90; 98.915; 90
2592.8Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min
Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines
RSC Adv., 2015, 5, 49657
7220674 CIFC41 H49 Br Cl2 N2 O5 SP c a 2129.462; 12.7234; 11.2553
90; 90; 90
4219.1Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min
Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines
RSC Adv., 2015, 5, 49657
7220706 CIFC23 H21 N3 O2 SnP 1 21/c 19.0499; 22.576; 10.339
90; 95.574; 90
2102.4Yadav, Shipra; Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Arjmand, Farukh; Tabassum, Sartaj
Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity
RSC Adv., 2015, 5, 50673
7220760 CIFC25 H33 Cl Cu2 N6 O10P 1 21 17.9614; 23.877; 8.4244
90; 109.146; 90
1512.8Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction
RSC Adv., 2015, 5, 51730
7220761 CIFC22 H29 Cl2 Cu2 N5 O7P -110.9647; 11.4494; 11.6578
85.912; 74.68; 71.026
1334.64Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction
RSC Adv., 2015, 5, 51730
7220859 CIFC25 H32 Ga N S2P 1 21/a 18.0157; 25.291; 11.9431
90; 92.129; 90
2419.5Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki
High HOMO levels and narrow energy band gaps of dithienogalloles
RSC Adv., 2015, 5, 55406
7220860 CIFC32 H49 Cl3 Ga N S2 Si2P 21 21 2111.6396; 14.2359; 23.9678
90; 90; 90
3971.5Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki
High HOMO levels and narrow energy band gaps of dithienogalloles
RSC Adv., 2015, 5, 55406
7220861 CIFC13 H13 Br N2 O2P -19.0885; 10.1681; 15.4664
88.451; 87.493; 66.259
1307Luo, Jing; Chen, Wenteng; Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Yu, Yongping
Synthesis of poly-functionalized imidazoles via vinyl azides annulation
RSC Adv., 2015, 5, 55808
7220909 CIFC32 H24 B2 F4 N8C 1 2/c 118.424; 17.935; 18.574
90; 110.646; 90
5743Barbon, Stephanie M.; Price, Jacquelyn T.; Yogarajah, Umesh; Gilroy, Joe B.
Synthesis and characterization of conjugated/cross-conjugated benzene-bridged boron difluoride formazanate dimers
RSC Adv., 2015, 5, 56316
7220985 CIFC34 H22 FeP 1 21/n 17.7281; 10.2249; 29.6634
90; 90.696; 90
2343.8Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh
Synergistic effect of donors on tetracyanobutadine (TCBD) substituted ferrocenyl pyrenes
RSC Adv., 2015, 5, 57692
7221026 CIFC24 H12 Cu F18 N4 PP 21 21 2112.9418; 13.3852; 15.8438
90; 90; 90
2744.6Brunner, Fabian; Klein, Y. Maximilian; Keller, Sarah; Morris, Collin D.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
The beneficial effects of trifluoromethyl-substituents on the photoconversion efficiency of copper(i) dyes in dye-sensitized solar cells
RSC Adv., 2015, 5, 58694
7221184 CIFC2 H9 N9 OP 1 21/n 18.5361; 6.5988; 13.2935
90; 103.374; 90
728.49Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221185 CIFC H3 N5 OP b c a9.8873; 5.5314; 13.6734
90; 90; 90
747.81Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221186 CIFC H6 N6 OP 1 21/c 110.6535; 6.5711; 6.9431
90; 101.531; 90
476.24Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221187 CIFC2 H8 N8 OC 1 2/c 112.7785; 6.41; 16.5787
90; 93.303; 90
1355.7Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221188 CIFC3 H8 N10 OP -16.07; 7.1682; 10.6018
76.852; 88.343; 65.406
407.32Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221189 CIFC2 H10 N10 OP 1 21/n 17.0441; 12.0324; 10.1093
90; 105.964; 90
823.79Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221190 CIFC2 H11 N11 OP b c a12.8237; 6.7049; 20.2018
90; 90; 90
1736.98Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221557 CIFC19 H29 N O2 SP n a 219.2889; 17.158; 11.652
90; 90; 90
1857.1Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming
On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins
RSC Adv., 2015, 5, 61081
7221558 CIFC26 H29 N O2 SP -111.089; 13.375; 16.281
80.22; 77.6; 77.15
2280.3Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming
On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins
RSC Adv., 2015, 5, 61081
7221561 CIFC2 H8 K2 O15 P2 V2C 1 2/c 117.749; 6.37; 13.977
90; 115.421; 90
1427.3Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.
Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries
RSC Adv., 2015, 5, 60630
7221562 CIFC2 H6 Na2 O14 P2 V2P -16.3255; 6.776; 8.0759
104.992; 101.679; 99.12
319.2Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.
Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries
RSC Adv., 2015, 5, 60630
7221589 CIFC25 H20 Cu2 N8 O2P 1 21 111.415; 7.683; 13.493
90; 95.6; 90
1177.7Fadaee, Farzaneh; Amirnasr, Mehdi; Prša, Krunoslav; Pattison, Philip; Shaik, Noore Elahi; Rønnow, Henrik M.; Esrafili, Mehdi D.; Omrani, Arash A.; Amiri, Ahmad; Schenk-Joß, Kurt
Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(ii) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties
RSC Adv., 2015, 5, 59926
7221596 CIFC37 H32 Cl2 N2 Ni O2P 1 21/n 19.0438; 19.4513; 18.124
90; 96.817; 90
3165.7Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu
Synthesis of well defined C‒C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization
RSC Adv., 2015, 5, 61851
7221597 CIFC37 H26 Cl2 F6 N2 Ni O2P 1 21/c 19.1247; 22.75; 16.595
90; 103.533; 90
3349.3Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu
Synthesis of well defined C‒C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization
RSC Adv., 2015, 5, 61851
7221598 CIFC19 H22 N2 O3 SI 41/a :229.16; 29.16; 8.7046
90; 90; 90
7402Nandi, Ganesh C.; Kota, Sudhakar R.; Wakchaure, Prasad B.; Chinthakindi, Praveen K.; Govender, Thavendran; Kruger, Hendrick G.; Naicker, Tricia; Arvidsson, Per I.
Pd-catalyzed C‒N coupling of vinylbromides and sulfonimidamides: a facile synthesis of N′-vinylsulfonimidamides
RSC Adv., 2015, 5, 62084
7221599 CIFC30 H28 N2 O3P 1 21/n 112.107; 10.601; 18.803
90; 98.78; 90
2385Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao
Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones
RSC Adv., 2015, 5, 62343
7221600 CIFC27 H27 Br N2 O5C 1 c 116.786; 16.7779; 35.405
90; 92.779; 90
9960Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao
Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones
RSC Adv., 2015, 5, 62343
7221601 CIFC30 H28 N2 O3P -19.994; 10.991; 12.398
107.882; 108.124; 95.032
1206.2Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao
Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones
RSC Adv., 2015, 5, 62343
7221602 CIFC27 H27 Cl N2 O5P 21 21 2110.513; 13.093; 17.827
90; 90; 90
2453.8Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao
Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones
RSC Adv., 2015, 5, 62343
7221676 CIFC14 H13 N O2 S2P -17.9337; 8.0923; 10.7299
99.19; 92.525; 96.497
674.313Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.
A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies
RSC Adv., 2015, 5, 64566
7221677 CIFC13 H10 Cl N O2 S2P -17.3443; 7.7814; 12.6804
85.486; 82.226; 65.984
655.63Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.
A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies
RSC Adv., 2015, 5, 64566
7221678 CIFC14 H13 N O2 S2P -17.8774; 8.4986; 11.233
91.435; 107.376; 107.927
677.16Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.
A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies
RSC Adv., 2015, 5, 64566
7221679 CIFC15 H15 N O2 S2P 1 21/c 17.2356; 7.9426; 25.027
90; 96.742; 90
1428.3Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.
A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies
RSC Adv., 2015, 5, 64566
7221685 CIFC18 H6 Cl6 F2 NP 1 21/c 114.5687; 8.137; 16.2873
90; 105.775; 90
1858.1Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi
Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties
RSC Adv., 2015, 5, 64802
7221686 CIFC18 H6 Br2 Cl6 NP -17.461; 10.846; 12.66
81.516; 88.763; 87.731
1012.3Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi
Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties
RSC Adv., 2015, 5, 64802

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