Crystallography Open Database

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1540465 CIFC28 H40 O8P 43 21 210.5228; 10.5228; 52.456
90; 90; 90		5808.4Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.
Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.
Journal of natural products, 2015, 78, 2726-2730
1541667 CIFC3 H12 Cl Cu N6 S3P 43 21 213.398; 13.398; 13.79
90; 90; 90		2475.39Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L.
Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes
Inorganica Chimica Acta, 2004, 357, 513-525
1541668 CIFC3 H12 Br Cu N6 S3P 43 21 213.391; 13.391; 13.788
90; 90; 90		2472.45Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T.
Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes
Inorganica Chimica Acta, 2004, 357, 513-525
1541884 CIFC24 H28 I N O9P 43 21 210.52245; 10.52245; 48.9522
90; 90; 90		5420.1Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene
Chem. Sci., 2016, 7, 2717
1541891 CIFC46 H43 Au B F15 N O PP 43 21 214.7478; 14.7478; 40.2121
90; 90; 90		8746Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg
Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion
Chem. Sci., 2016, 7, 2335
1544484 CIFC45 H54 N4 O11P 43 21 216.2628; 16.2628; 35.9975
90; 90; 90		9520.6Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.
Journal of natural products, 2016, 79, 2709-2717
1545195 CIFC152 H239 N64 O97 P2 Pt6P 43 21 228.765; 28.765; 28.673
90; 90; 90		23725Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto
Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts
Nature Chemistry, 2009, 1, 53
1545378 CIF
HKL		C14 H6 Cl2 N2 O4 RuP 43 21 28.8003; 8.8003; 19.772
90; 90; 90		1531.2Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai
<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
IUCrData, 2017, 2, x170288
1546839 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3615; 19.3615; 14.1645
90; 90; 90		5309.81Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546840 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3938; 19.3938; 14.1496
90; 90; 90		5321.94Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546841 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3596; 19.3596; 14.1336
90; 90; 90		5297.2Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546925 CIFC16 H17 F3 N2 O3 SP 43 21 27.13; 7.13; 66.238
90; 90; 90		3367.33Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric
Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system
Chem. Sci., 2017
1549110 CIFC18 H30 F4 Ni P2P 43 21 28.13398; 8.13398; 31.6136
90; 90; 90		2091.61Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1550764 CIFC25.5 H25 B Br3 Cl F2 N2P 43 21 212.0614; 12.0614; 37.3048
90; 90; 90		5427Guerrero-Corella, Andrea; Asenjo-Pascual, Juan; Pawar, Tushar Janardan; Díaz-Tendero, Sergio; Martín-Sómer, Ana; Gómez, Clarisa Villegas; Belmonte-Vázquez, José L.; Ramírez-Ornelas, Diana E.; Peña-Cabrera, Eduardo; Fraile, Alberto; Cruz, David Cruz; Alemán, José
BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions
Chemical Science, 2019
1550972 CIFC47.24 H72.13 B2 Fe N5P 43 21 216.0995; 16.0995; 16.3816
90; 90; 90		4246Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.
Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides
Chemical Science, 2019
1550982 CIFC44 H73 B2 Cl2 Fe N7P 43 21 216.4289; 16.4289; 16.7181
90; 90; 90		4512.4Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.
Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides
Chemical Science, 2019
1552144 CIFC42 H64 Br3 N2 O6 VP 43 21 214.609; 14.609; 21.144
90; 90; 90		4512.6Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.
Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
Chemical Science, 2019
1552146 CIFC42 H62 Br6 N2 O6 VP 43 21 210.725; 10.725; 42.298
90; 90; 90		4865.4Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.
Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
Chemical Science, 2019
1552253 CIFC61 H60 B F24 Ir N P2P 43 21 213.4887; 13.4887; 34.6571
90; 90; 90		6305.7Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden
Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes
Chemical Science, 2019
1552613 CIFC20 H32 O4P 43 21 211.72503; 11.72503; 25.843
90; 90; 90		3552.8Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen
Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.
Journal of natural products, 2019, 82, 2307-2331
1553258 CIFC16 H20 O5P 43 21 28.0784; 8.0784; 45.237
90; 90; 90		2952.2Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.
Journal of medicinal chemistry, 2018, 61, 5664-5678
1553640 CIFC19 H18 N2 O3P 43 21 29.37666; 9.37666; 36.6305
90; 90; 90		3220.62Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping
Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.
Chemical science, 2016, 7, 5530-5536
1554099 CIFC26 H23 Br N2 O4P 43 21 211.3202; 11.3202; 36.3968
90; 90; 90		4664.14Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin
Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers
The Journal of Physical Chemistry C, 2017, 121, 25503
1554565 CIFC32 H27 N O4 SP 43 21 213.6813; 13.6813; 29.053
90; 90; 90		5438.1Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song
Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones
Organic Chemistry Frontiers, 2019, 6, 405
1554628 CIFC8 H8 N10 O14P 43 21 27.0912; 7.0912; 34.097
90; 90; 90		1714.6Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen
Customization of the molecular structure to modulate the crystal packing style of energetic materials
Molecular Systems Design & Engineering, 2019, 4, 1032
1555244 CIFC76 H78 O16 S4P 43 21 213.3557; 13.3557; 44.138
90; 90; 90		7873.1Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.
Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.
Organic letters, 2015, 17, 4296-4299
1555743 CIFC15 H21 N O3P 43 21 28.4853; 8.4853; 37.19
90; 90; 90		2677.69Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong
Asymmetric Total Synthesis of (-)-Lycospidine A.
Organic letters, 2016, 18, 4682-4685
1556183 CIFC20 H32 O5P 43 21 29.653; 9.653; 40.391
90; 90; 90		3763.6Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui
Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.
Organic letters, 2013, 15, 3094-3097
1556426 CIFC38 H58 P2 Si2 ThP 43 21 212.1642; 12.1642; 26.953
90; 90; 90		3988.2Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.
Thorium(IV) and Uranium(IV) Phosphaazaallenes
Inorganics, 2019, 7, 105
1556427 CIFC38 H58 P2 Si2 UP 43 21 212.0767; 12.0767; 26.931
90; 90; 90		3927.8Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.
Thorium(IV) and Uranium(IV) Phosphaazaallenes
Inorganics, 2019, 7, 105
1556570 CIFC20 H30 O4P 43 21 29.247; 9.247; 42.695
90; 90; 90		3651Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin
Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.
Journal of natural products, 2019, 82, 3330-3339
1558814 CIFC109 H111 Cd2 F12 N17 O12 S10P 43 21 213.5418; 13.5418; 66.0707
90; 90; 90		12116.1Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong
Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages
Chemical Science, 2020
1558859 CIFC132 H78P 43 21 223.1826; 23.1826; 44.5679
90; 90; 90		23952.3Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru
Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns
Chemical Science, 2020
1559189 CIFC17 H20 N4 O3 PdP 43 21 215.89; 15.89; 14.121
90; 90; 90		3565Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin
Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis
Chemical Science, 2020
1559900 CIFC18 H20 N22P 43 21 221.2871; 21.2871; 32.0541
90; 90; 90		14525Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.
Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams
Chemistry-A European Journal, 2020, 26, 7026-7040
1560351 CIFMn O14 Sr3 V4P 43 21 26.9951; 6.9951; 25.439
90; 90; 90		1244.77Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.
Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)
Journal of Solid State Chemistry, 2017, 255, 225-233
1560461 CIFC36 H36 N4 Ni2 O15 SP 43 21 211.2036; 11.2036; 29.896
90; 90; 90		3752.6Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan
Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand
Journal of Solid State Chemistry, 2017, 250, 6-13
1561083 CIFC22 H17 N5 O6 ZnP 43 21 215.4132; 15.4132; 18.4595
90; 90; 90		4385.36Arıcı, Mürsel
Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers
Journal of Solid State Chemistry, 2018, 262, 79-86
1561833 CIFC39 H53 N11 O16 Y2P 43 21 217.6029; 17.6029; 29.0488
90; 90; 90		9001.1Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
Chemical Science, 2021
1561834 CIFC39 H50 Lu2 N11 O14.5P 43 21 217.5856; 17.5856; 28.9382
90; 90; 90		8949.2Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
Chemical Science, 2021
1561835 CIFC39 H50 Lu N11 O14.5 YbP 43 21 217.5896; 17.5896; 28.9543
90; 90; 90		8958.3Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
Chemical Science, 2021
1561837 CIFC39 H50 Lu N11 O14.5 YP 43 21 217.5884; 17.5884; 28.9743
90; 90; 90		8963.3Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
Chemical Science, 2021
1561840 CIFC39 H52 Gd N11 O15.5 YP 43 21 217.6312; 17.6312; 29.2044
90; 90; 90		9078.5Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
Chemical Science, 2021
1562482 CIFC14 H14 Cu N2 O6P 43 21 28.6027; 8.6027; 43.7712
90; 90; 90		3239.35Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.
Homochiral Cu(II) and Ni(II) malates with tunable structural features
Journal of Solid State Chemistry, 2014, 210, 125-129
1563838 CIFC70 H62 Cd2 N8 O11P 43 21 216.6643; 16.6643; 24.88
90; 90; 90		6909.1Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.
Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties
Inorganica Chimica Acta, 2018, 483, 165-172
1564530 CIFC40 H59 N O5P 43 21 223.7717; 23.7717; 14.8492
90; 90; 90		8391.2Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun
Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice.
Journal of medicinal chemistry, 2021, 64, 12181-12199
1565995 CIFC82 H201.75 K4 O98.88 P2P 43 21 223.3244; 23.3244; 48.784
90; 90; 90		26540Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold
Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes
Chemical Science, 2022, 13, 2218-2225
1567219 CIFC36 H80 Cl2 Cu3 N6 O12P 43 21 222.423; 22.423; 20.454
90; 90; 90		10284Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.
Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime
Russian Journal of Coordination Chemistry, 2001, 27, 423-432
1567666 CIFC56 H64 N8 O8P 43 21 214.7104; 14.7104; 23.995
90; 90; 90		5192.4Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam
A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.
Chemical science, 2022, 13, 11506-11512
1568268 CIFC29 H30 O5P 43 21 29.9702; 9.9702; 48.7176
90; 90; 90		4842.77Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming
Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.
Chemical science, 2023, 14, 1844-1851

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