Crystallography Open Database

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7231863 CIFC76 H74 Cl Co4 N7 O12 S4P 1 21/m 111.5232; 21.9302; 20.4472
90; 93.037; 90
5159.87Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping
Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D
RSC Advances, 2018, 8, 39208
7231873 CIFC22 H15 Br Cl2 F3 N5 O S2P 1 21/n 119.53; 6.034; 21.523
90; 105.189; 90
2447.8Wu, Qi-Fan; Zhao, Bin; Fan, Zhi-Jin; Zhao, Jia-Bao; Guo, Xiao-Feng; Yang, Dong-Yan; Zhang, Nai-Lou; Yu, Bin; Kalinina, Tatiana; Glukhareva, Tatiana
Design, synthesis and fungicidal activity of isothiazole‒thiazole derivatives
RSC Advances, 2018, 8, 39593
7231874 CIFC26 H25 N8 O9P -15.8865; 14.2293; 16.8469
75.358; 87.692; 82.114
1352.35Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao
Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies
RSC Advances, 2018, 8, 39394
7231875 CIFC27 H29.41 N9 O9.5P -17.124; 12.8626; 16.043
95.365; 90.472; 101.742
1432.44Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao
Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies
RSC Advances, 2018, 8, 39394
7231876 CIFC27 H31 N9 O10 SP -110.7261; 12.0465; 14.5821
83.686; 74.878; 79.38
1783.97Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao
Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies
RSC Advances, 2018, 8, 39394
7231877 CIFC26 H11 F12 N2C 1 2/c 135.48; 14.931; 8.852
90; 99.42; 90
4626Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio
Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes
RSC Advances, 2018, 8, 39269
7231878 CIFC46 H32 Cl6 N4P -19.235; 9.638; 11.86
78.93; 76.86; 73.21
975Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio
Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes
RSC Advances, 2018, 8, 39269
7231879 CIFC52 H46 N4P 1 21/n 18.7406; 15.369; 16.406
90; 103.303; 90
2144.8Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio
Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes
RSC Advances, 2018, 8, 39269
7231880 CIFC46 H26 Cl2 F8 N4P 1 21/n 18.4081; 13.0237; 17.9996
90; 103.022; 90
1920.4Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio
Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes
RSC Advances, 2018, 8, 39269
7231894 CIFC32 H30 N2 O4 TiP 41 21 215.934; 15.934; 12.007
90; 90; 90
3048.5Miller, Maya; Tshuva, Edit Y.
Racemic <i>vs.</i> enantiopure inert Ti(iv) complex of a single diaminotetrakis(phenolato) ligand in anticancer activity toward human drug-sensitive and -resistant cancer cell lines.
RSC advances, 2018, 8, 39731-39734
7231895 CIFC20 H16 F N5 O3P 1 21/c 112.36164; 20.0007; 7.3527
90; 102.617; 90
1773.99Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad
1,2,3-Triazole‒quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent
RSC Advances, 2018, 8, 39611
7231896 CIFC14 H12 N2 O3P 1 21/n 111.30704; 10.56186; 11.46113
90; 115.006; 90
1240.43Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad
1,2,3-Triazole‒quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent
RSC Advances, 2018, 8, 39611
7231897 CIFC22 H30 O3P 21 21 212.3071; 19.3724; 8.0124
90; 90; 90
1910.3Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V.
Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C
RSC Advances, 2018, 8, 39691
7231900 CIFC17 H14 Br N OP 21 21 216.0888; 12.5645; 17.867
90; 90; 90
1366.9Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji
Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex
RSC Advances, 2018, 8, 39865
7231904 CIFC33 H35 N5 O2P 1 21/n 111.1087; 22.604; 12.1637
90; 109.349; 90
2881.8Sarkar, Himadri Sekhar; Kundu, Shampa; Das, Sujoy; Maiti, Pulak Kumar; Mandal, Sukhendu; Sahoo, Prithidipa
2′-Deoxy-5-(hydroxymethyl)cytidine: estimation in human cancer cells with a simple chemosensor
RSC Advances, 2018, 8, 39893
7231910 CIFC48 H24 N8 ZnP 1 21/n 19.7858; 9.3797; 21.3172
90; 100.777; 90
1922.15Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng
Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand
RSC Advances, 2018, 8, 40054
7231911 CIFC54 H38 Cu N10 O2P 1 2/c 133.5945; 17.1635; 15.368
90; 93.849; 90
8841.2Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng
Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand
RSC Advances, 2018, 8, 40054
7231947 CIFGa5.7 Na8 Si40.3P m -3 n10.3266; 10.3266; 10.3266
90; 90; 90
1101.21Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
RSC Advances, 2018, 8, 40505
7231948 CIFGa5.39 Na8 Si40.61P m -3 n10.321; 10.321; 10.321
90; 90; 90
1099.42Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
RSC Advances, 2018, 8, 40505
7231949 CIFGa5.52 Na8 Si40.48P m -3 n10.321; 10.321; 10.321
90; 90; 90
1099.42Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
RSC Advances, 2018, 8, 40505
7231950 CIFGa4.94 Na8 Si41.06P m -3 n10.302; 10.302; 10.302
90; 90; 90
1093.36Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
RSC Advances, 2018, 8, 40505
7231951 CIFGa5.06 Na8 Si40.94P m -3 n10.309; 10.309; 10.309
90; 90; 90
1095.59Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
RSC Advances, 2018, 8, 40505
7231955 CIFC29 H20 Cr N2 O7 SP n m a8.3302; 23.634; 12.8113
90; 90; 90
2522.2Tang, Jie; Yao, Pengfei; Wang, Lina; Bian, Hedong; Luo, Meiyi; Huang, Fuping
Schiff base complex conjugates of bovine serum albumin as artificial metalloenzymes for eco-friendly enantioselective sulfoxidation
RSC Advances, 2018, 8, 40720
7231956 CIFC17 H16 F N3 O3P 1 21/n 19.7759; 14.3497; 10.8895
90; 101.452; 90
1497.18Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin
NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution
RSC Advances, 2018, 8, 40921
7231957 CIFC18 H16 F2 N2 O2P 1 21/n 16.575; 10.4009; 11.2622
90; 101.313; 90
755.21Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin
NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution
RSC Advances, 2018, 8, 40921
7231958 CIFC17 H16 Br N3 O3P 1 21/c 17.842; 25.3; 8.024
90; 94.67; 90
1586.7Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin
NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution
RSC Advances, 2018, 8, 40921
7231959 CIFC17 H16 Br N3 O3C 1 2/c 117.379; 11.788; 17.806
90; 116.727; 90
3258.1Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin
NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution
RSC Advances, 2018, 8, 40921
7231960 CIFC22 H17 N3 O3 SP 1 21/n 17.6209; 12.073; 21.125
90; 96.86; 90
1929.7Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao
Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides
RSC Advances, 2018, 8, 40798
7231961 CIFC22 H17 N3 O3 SP -18.2461; 10.3; 12.879
104.17; 99.94; 105.52
988.2Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao
Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides
RSC Advances, 2018, 8, 40798
7231970 CIFC15 H11 N OP b c n22.672; 14.2171; 6.8368
90; 90; 90
2203.7Ganesan, Balaji; Senadi, Gopal Chandru; Guo, Bing-Chun; Hung, Min-Yuan; Lin, Wei-Yu
A copper(ii)-catalyzed annulative formylation of o-alkynylanilines with DMF: a single-step strategy for 3-formyl indoles
RSC Advances, 2018, 8, 40968
7231996 CIFC20 H22 N4 O2 S4C 1 2/c 123.712; 9.1025; 10.4517
90; 105.353; 90
2175.4Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7231997 CIFC12 H16 Cl2 N2 O2 S3 SnP -18.5293; 9.3173; 12.6067
100.635; 108.831; 94.334
922.06Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7231998 CIFC20 H20 N4 O2 S4 SnC 1 2/c 17.7957; 24.197; 12.3003
90; 101.157; 90
2276.4Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7231999 CIFC20 H20 Mn N4 O2 S4C 1 2/c 17.7764; 24.056; 12.1308
90; 104.462; 90
2197.4Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7232000 CIFC12 H17 N2 O4 S2 VP -18.0281; 10.127; 11.104
110.554; 110.25; 94.785
771.2Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7232001 CIFC11 H14 Mo N2 O4 S2P 1 21/c 110.0788; 9.8639; 14.4725
90; 90.69; 90
1438.7Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7232002 CIFC13 H17 I2 N3 O2 S2 SnP b c a18.999; 8.978; 23.512
90; 90; 90
4011Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
RSC Advances, 2018, 8, 41795
7232003 CIFC15 H18 N4 O4 SP -17.3596; 9.2464; 14.1726
104.253; 90.749; 111.461
864.24Khan, M. Musawwer; Saigal, Saigal; Khan, Sarfaraz; Shareef, Sumbulunnisan; Sahoo, Subash C.
Microwave irradiation: a green approach for the synthesis of functionalized N-methyl-1,4-dihydropyridines
RSC Advances, 2018, 8, 41892
7232023 CIFC24 H40 Cl2 Gd2 N2 O21P 19.6682; 10.0302; 10.911
104.893; 93.675; 110.003
947.3Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai
Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks
RSC Advances, 2018, 8, 42100
7232024 CIFC24 H40 Cl2 Eu2 N2 O21P 19.6686; 10.0202; 10.8727
104.824; 93.71; 109.569
946.31Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai
Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks
RSC Advances, 2018, 8, 42100
7232025 CIFC24 H40 Cl2 N2 O21 Tb2P 19.6763; 10.0338; 10.9853
105.072; 93.691; 110.107
953.1Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai
Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks
RSC Advances, 2018, 8, 42100
7232026 CIFC24 H40 Cl2 Dy2 N2 O21P 19.6947; 10.0533; 11.0032
105.039; 93.823; 110.052
958.48Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai
Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks
RSC Advances, 2018, 8, 42100
7232028 CIFC12 H17 Fe2 O5 P S2P b c n23.9678; 11.62457; 12.7424
90; 90; 90
3550.23Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao
The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction
RSC Advances, 2018, 8, 42262
7232029 CIFC12 H17 Fe2 O8 P S2C 1 2/c 111.163; 14.887; 23.086
90; 98.118; 90
3798.1Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao
The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction
RSC Advances, 2018, 8, 42262
7236516 CIFC22 H20 N2 O6 ZnP 1 21/c 18.615; 26.006; 10.0175
90; 113.667; 90
2055.6Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7236517 CIFC23 H22 N2 O5 ZnC m c e18.696; 14.2482; 16.1635
90; 90; 90
4305.7Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7236518 CIFC24 H22 N2 O5 ZnP -18.482; 10.245; 15.967
99.022; 93.005; 114.363
1237.7Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7236519 CIFC19 H19 N O5 ZnC 1 2/c 116.637; 9.2945; 24.212
90; 94.95; 90
3730Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7236520 CIFC23 H22 N2 O6 ZnP -19.5648; 11.4815; 11.5626
100.477; 100.808; 113.57
1095.7Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7236521 CIFC20 H20 N2 O7 ZnP 1 21/n 17.9207; 15.0598; 17.216
90; 99.077; 90
2027.9Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428

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