Crystallography Open Database

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1100518 CIFC26 H28 N2 O2I 1 2 119.522; 5.321; 21.728
90; 102.53; 90		2203.27Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus
Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework
Tetrahedron, 1999, 55, 1249-1270
1100582 CIFC26 H34 N2 O7I 1 2 111.444; 6.006; 18.591
90; 91.674; 90		1277.26Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus
Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde
Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1998, 3717-3724
1101224 CIFMo3 Na2 O16 Te3I 1 2 17.3373; 11.2668; 8.2369
90; 97.387; 90		675.3Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv
Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties
Chemistry of Materials, 2006, 18, 2070-2074
1501802 CIFC30 H46 O4 SI 1 2 111.5246; 5.8509; 42.613
90; 93.203; 90		2868.9Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf
A highly conjugated dihydroxylated C28 steroid from a myxobacterium.
Journal of natural products, 2011, 74, 1281-1283
1512331 CIFC26 H37 N2 O3.5 SI 1 2 117.591; 7.9204; 18.104
90; 104.474; 90		2442.3Nash, Aaron; Soheili, Arash; Tambar, Uttam K.
Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis
Organic Letters, 2013, 15, 4770
1513819 CIFC32 H50 N2 O3 SI 1 2 115.1901; 5.6134; 39.9231
90; 93.453; 90		3398Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Shah, Rushabh S.; Thompson, Amber L.; Thomson, James E.
(-)-(2S,3R,Z)-Nakinadine A: First Asymmetric Synthesis and Absolute Configuration Assignment.
Organic letters, 2014, 16, 1354-1357
1516605 CIFC25 H36 O5I 1 2 113.9471; 8.2238; 19.675
90; 93.918; 90		2251.4Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M.
Diterpenes from the Endangered Goldenrod Solidago shortii.
Journal of natural products, 2014, 77, 1438-1444
1519895 CIFC13 H10 N4 O5I 1 2 16.7095; 4.7163; 20.0338
90; 92.902; 90		633.14Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
N,N'-bis(3-Nitrophenyl)urea
Crystal Structure Report Archive, 2008, 687
1519942 CIF
HKL		Al29.2 As18 Fe2.8 H190 O188I 1 2 124.576; 7.754; 24.641
90; 90.19; 90		4696Grey, I. E.; Mumme, W. G.; Macrae, C. M.; Caradoc-Davies, T.; Price, J. R.; Rumsey, M. S.; Mills, S. J.
Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)~32~(AsO~4~)~18~(OH)~42~(H~2~O)~22~]·52H~2~O, an open framework mineral with a pharmacoalumite-related structure
Mineralogical Magazine, 2013, 77, 3125-3135
1529066 CIFC36 H52 N8 O9I 1 2 116.9971; 9.2681; 25.8496
90; 99.408; 90		4017.3Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis
Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability
Chem. Sci., 2015, 6, 5473
1533746 CIFBi6.154 O16 P2 Ti0.846I 1 2 111.233; 5.4096; 11.233
90; 95.13; 90		679.851Steinfink, H.; Lynch, V.
The crystal structure of a bismuth - transition metal phosphate Bi6 Ti P2 O16
Journal of Solid State Chemistry, 2004, 177, 1412-1415
1539124 CIFO5 Ta2I 1 2 13.81; 3.81; 35.76399
90; 90; 90		519.154Stephenson, N.C.; Roth, R.S.
The crystal structure of the high temperature form of Ta2 O2
Journal of Solid State Chemistry, 1971, 3, 145-153
1541917 CIFC92 H89 N O20 Zn2I 1 2 118.9677; 19.9186; 31.739
90; 95.287; 90		11940.3Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid
Chem. Sci., 2016, 7, 3085
1543858 CIF
Paper		C4 H9 N O2I 1 2 19.6246; 5.2079; 43.103
90; 100.201; 90		2126.3Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav
An exceptional series of phase transitions in hydrophobic amino acids with linear side chains
IUCrJ, 2016, 3
1543864 CIFC5 H11 N O2I 1 2 19.5868; 5.156; 27.477
90; 93.203; 90		1356.1Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav
An exceptional series of phase transitions in hydrophobic amino acids with linear side chains
IUCrJ, 2016, 3
1543865 CIFC5 H11 N O2I 1 2 19.5855; 5.1752; 27.959
90; 92.057; 90		1386.1Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav
An exceptional series of phase transitions in hydrophobic amino acids with linear side chains
IUCrJ, 2016, 3
1545748 CIFC220 H150I 1 2 115.2965; 29.0416; 42.143
90; 94.486; 90		18664Ikemoto, Koki; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki
Entropy-Driven Ball-in-Bowl Assembly of Fullerene and Geodesic Phenylene Bowl
Organic Letters, 2017
1545781 CIFC14 H21 N O4 SI 1 2 114.811; 5.342; 19.823
90; 99.03; 90		1549Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro
Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.
Organic letters, 2017, 19, 2394-2397
1547194 CIFC34 H20I 1 2 111.177; 8.834; 12.887
90; 93.357; 90		1270.2Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui
Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy
The Journal of Physical Chemistry C, 2017, 121, 20947
1547823 CIFC16 H26.5 O7.25I 1 2 119.911; 5.551; 30.35
90; 95.908; 90		3337Hurtak, Jessica A.; McDonald, Frank E.
Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.
Organic letters, 2017, 19, 6036-6039
1548119 CIFC39 H54 O7I 1 2 118.06063; 9.22305; 20.6152
90; 91.6998; 90		3432.45Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi
Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.
Journal of natural products, 2017, 80, 3218-3223
1549108 CIFC18 H30 F5 I Ni P2I 1 2 18.0074; 11.3665; 12.9665
90; 94.616; 90		1176.33Thangavadivale, 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
1549109 CIFC18 H30 F5 I Ni P2I 1 2 17.8675; 11.3291; 12.9347
90; 94.392; 90		1149.51Thangavadivale, 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
1549115 CIFC18 H30 F5 I Ni P2I 1 2 17.892; 11.3325; 12.9439
90; 94.434; 90		1154.19Thangavadivale, 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
1549566 CIFC53 H48 Cl4 Os P2 SiI 1 2 113.9889; 16.453; 21.3301
90; 97.273; 90		4869.82Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Facile synthesis of polycyclic metallaarynes.
Chemical science, 2018, 9, 5994-5998
1550166 CIFC22 H31 Ir O2I 1 2 110.8334; 8.23239; 22.2298
90; 98.0838; 90		1962.86Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.
Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis
Chemical Science, 2019
1551328 CIFC80 H119 Cl2 N12 O9.5I 1 2 121.7305; 19.737; 22.9973
90; 105.506; 90		9504.4Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551329 CIFC83 H137 N12 O15I 1 2 121.644; 19.7822; 23.2696
90; 105.704; 90		9591.4Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551358 CIFC27 H32 O7I 1 2 110.7987; 9.1936; 27.3628
90; 97.543; 90		2693.04Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White
Chemoselective methylene oxidation in aromatic molecules
Nature Chemistry, 2019, 11, 213-221
1551879 CIFC88 H104 N12I 1 2 117.5354; 18.0598; 24.493
90; 90.554; 90		7756.2Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper
Molecular shape sorting using molecular organic cages
Nature Chemistry, 2013, 5, 276-281
1551880 CIFC88 H104 N12I 1 2 117.701; 18.026; 24.9002
90; 90.293; 90		7945Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper
Molecular shape sorting using molecular organic cages
Nature Chemistry, 2013, 5, 276-281
1552192 CIFC88 H198 N2 O24 Si6 U2I 1 2 114.2946; 16.3627; 25.1526
90; 99.031; 90		5810.2Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella
Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Chemical Science, 2019
1552554 CIFC21 H24 Cl N O4I 1 2 17.3616; 8.6802; 31.9635
90; 92.7; 90		2040.2Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You
Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.
Journal of agricultural and food chemistry, 2019, 67, 2175-2182
1552603 CIFC16 H17 Cl O6I 1 2 113.508; 5.3369; 22.2879
90; 95.528; 90		1599.28Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee
Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.
Journal of natural products, 2019, 82, 101-110
1552884 CIFC23 H20 OI 1 2 117.3724; 5.5677; 18.8919
90; 111.661; 90		1698.27Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.
Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.
Chemical science, 2020, 11, 494-498
1552949 CIFC16.05 H12.45 N O5I 1 2 115.0405; 8.4792; 13.8431
90; 106.602; 90		1691.83Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien
Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.
Chemical science, 2020, 11, 403-408
1553413 CIFC28 H20 SI 1 2 115.4081; 6.0485; 22.1271
90; 102.299; 90		2014.83Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong
Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?
Materials Chemistry Frontiers, 2017, 1, 1125
1554448 CIFC28 H33 Br O3I 1 2 126.357; 7.5712; 24.9141
90; 92.458; 90		4967.1Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong
Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction
Organic Chemistry Frontiers, 2018, 5, 3013
1554470 CIFC26 H30 N4 O9I 1 2 19.9349; 5.4755; 25.351
90; 101.162; 90		1353Chen, Jinhong; Li, Junfang; Zhu, Longqing; Peng, Xue; Feng, Yiyue; Lu, Yingmei; Hu, Xiaoling; Liang, Jianpin; Zhao, Quanyi; Wang, Zhen
Total synthesis and structure revision of chrysamide B
Organic Chemistry Frontiers, 2018, 5, 3402
1555043 CIFC25 H28 O10I 1 2 111.9189; 6.5987; 26.7335
90; 100.124; 90		2069.83Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua
Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013
Organic Chemistry Frontiers, 2019, 6, 3252
1556712 CIFC24 H30 N0 O6I 1 2 117.78258; 7.75587; 15.80743
90; 98.7572; 90		2154.74Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus
Journal of Natural Products, 2019
1558056 CIFC82 H65 Co4 N16 O12I 1 2 115.6211; 21.1135; 32.721
90; 93.605; 90		10770.6Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina
Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.
Nanoscale, 2020, 12, 11601-11611
1558817 CIFC38.5 H57 O5.5I 1 2 110.479; 10.076; 34.499
90; 93.585; 90		3635.5Marchbank, Douglas H.; Ptycia-Lamky, Vernon C.; Decken, Andreas; Haltli, Bradley A.; Kerr, Russell G.
Guanahanolide A, a Meroterpenoid with a Sesterterpene Skeleton from Coral-Derived Streptomyces sp.
Organic Letters, 2020
1559891 CIFC26 H25 OI 1 2 111.9345; 7.2394; 22.679
90; 99.029; 90		1935.2Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng
Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.
Chemical science, 2020, 12, 2614-2622
1561809 CIFBi6.5 Cu0.5 O15.2 V2I 1 2 111.2768; 5.4513; 11.055
90; 96.702; 90		674.9Gupta, Akanksha; Uma, S.
Synthesis and crystal structure of Bi6(Bi0.5Cu0.5)V2O15+
Journal of Solid State Chemistry, 2015, 230, 369-373
1563744 CIFC29 H32 N2 O4I 1 2 120.5395; 5.87746; 24.8986
90; 98.171; 90		2975.25Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li
[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells
Journal of Natural Products, 2021
1564146 CIFC49.8 H81.1 O15.75I 1 2 114.8197; 9.1753; 39.094
90; 94.49; 90		5299.5Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey
Crystal Structures of New Ivermectin Pseudopolymorphs
Crystals, 2021, 11, 172
1564496 CIFC25 H35 N O5I 1 2 111.0067; 9.2663; 24.1638
90; 99.36; 90		2431.69An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min
Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)
Chemical Science, 2021
1564702 CIFC36 H84 Cl6 In12 N8 O26I 1 2 116.0512; 11.4206; 20.2117
90; 90.194; 90		3705.07Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei
Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications
Chemical Science, 2021
1564786 CIFC28 H18 Br N3 OI 1 2 120.2119; 7.9865; 28.5833
90; 99.59; 90		4549.5Qiu, Shaotong; Gao, Xiang; Zhu, Shifa
Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks
Chemical Science, 2021
1565178 CIFC42.64 H56.23 Cl3.11 N16 O5.46I 1 2 112.00486; 18.58877; 23.79439
90; 96.15; 90		5279.29Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke
Chiral, Sequence-Definable Foldamer-Derived Macrocycles
Chemical Science, 2021
1565504 CIFC24 H30 O6I 1 2 118.8062; 5.4589; 21.9181
90; 108.589; 90		2132.75Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng
Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.
Journal of natural products, 2021, 84, 2953-2960
1566609 CIFC76.5 Fe N4 O27.5 S2 Si16I 1 2 137.4731; 17.2234; 42.6209
90; 103.053; 90		26797.4Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli
Chiral Molecular Nanosilicas
Chemical Science, 2022
1567256 CIFC50 H86 N2 O4.25 YI 1 2 121.9272; 11.1967; 41.785
90; 92.244; 90		10250.9Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong
Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands
Polymer Chemistry, 2022, 13, 4249-4259
1567793 CIFC20 H18 F5 N O5I 1 2 120.3374; 7.1756; 14.0098
90; 92.999; 90		2041.69Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene
Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.
Chemical science, 2022, 13, 12971-12979
1568070 CIFC48 H108 Cl12 Cu3 N6I 1 2 120.7149; 18.0468; 19.5556
90; 107.343; 90		6978.3Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang
Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.
Nanoscale, 2023, 15, 1595-1601
1568073 CIFC48 H108 Cl12 Cu3 N6I 1 2 120.4795; 18.1694; 19.6068
90; 107.039; 90		6975.5Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang
Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.
Nanoscale, 2023, 15, 1595-1601
1568194 CIFC7 H10 O3 SI 1 2 112.599; 6.90114; 18.8705
90; 102.949; 90		1599.02Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine
Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties
Polymer Chemistry, 2023, 14, 623-632
1569103 CIFC162 H324 K9 Mo3 N18 O54 Sb24I 1 2 125.8992; 25.3671; 38.125
90; 92.409; 90		25025.5Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong
A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.
Materials horizons, 2023, 10, 2997-3004
2001658 CIF
Paper		C29 H52 O7I 1 2 119.14; 7.635; 19.838
90; 99.84; 90		2856Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K.
Structure of vicogenin
Acta Crystallographica Section C, 1993, 49, 1240-1242
2002794 CIFBa2 O9 P2 VI 1 2 19.4707; 5.4433; 16.97197
90; 101.648; 90		856.9Wadewitz, C; Mueller-Buschbaum, Hk
Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 1290-1294
2004137 CIF
Paper		C4 H5 K2 O6.5I 1 2 112.551; 5.0137; 12.7
90; 104.62; 90		773.3Boese, R.; Bläser, D.; Latz, R.; Piennisch, M.
Dipotassium <small>L</small>-Tartrate Semihydrate
Acta Crystallographica Section C, 1995, 51, 2227-2229
2008148 CIF
Paper		C6 H10 O6I 1 2 17.0863; 4.3394; 13.2126
90; 90.147; 90		406.29Gerkin, Roger E.
Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]
Acta Crystallographica Section C, 1999, 55, 209-211
2011631 CIF
HKL
Paper		C11 H13 N3 O4I 1 2 115.995; 6.865; 21.934
90; 94.16; 90		2402.1Swenson, Dale C.; Nair, Vasu; Bera, Sanjib
A dideoxydidehydronucleoside derivative
Acta Crystallographica Section C, 2000, 56, e600-e601
2012029 CIF
HKL
Paper		C26 H24 Cl2 Ni P2I 1 2 112.4551; 7.9901; 13.035
90; 105.983; 90		1247.1Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.
A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)
Acta Crystallographica Section C, 2001, 57, 690-693
2012030 CIF
HKL
Paper		C26 H24 Cl2 Ni P2I 1 2 112.5688; 8.0208; 13.0871
90; 105.531; 90		1271.2Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.
A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)
Acta Crystallographica Section C, 2001, 57, 690-693
2015931 CIF
HKL
Paper		Ag3 F2 H4 N O6 P2I 1 2 130.895; 5.5976; 9.7522
90; 90.027; 90		1686.5Weil, Matthias
NH~4~Ag~3~(PO~3~F)~2~, a layered monofluorophosphate(V) with seven different Ag sites
Acta Crystallographica Section C, 2007, 63, i31-i33
2016711 CIF
HKL
Paper		C H6 Cl N2 Na O2I 1 2 16.4845; 5.2362; 17.3497
90; 90.152; 90		589.09Müller, S.; Schäfer, O.; Keller, E.
Rock salt‒urea‒water (1/1/1) at 293 and 117K
Acta Crystallographica Section C, 2008, 64, m300-m304
2022406 CIF
HKL
Paper		C9 H18 O5I 1 2 113.7349; 5.0575; 16.08
90; 109.02; 90		1056Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S.
Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters
Acta Crystallographica Section C, 2021, 77
2104067 CIF
Paper		C53 H100 O6I 1 2 122.7149; 5.65579; 85.11
90; 90.204; 90		10934.1van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104068 CIF
Paper		C53 H102 O6I 1 2 122.2531; 5.6339; 85.263
90; 90.797; 90		10688.5van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104069 CIF
Paper		C53 H100 O6I 1 2 122.988; 5.6407; 86.265
90; 93.523; 90		11164.7van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104070 CIF
Paper		C53 H102 O6I 1 2 122.7505; 5.6498; 86.746
90; 93.968; 90		11123.2van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104692 CIF
HKL
Paper		C4 H9 N O2I 1 2 19.646; 5.2145; 42.885
90; 100.295; 90		2122.3Görbitz, Carl Henrik
<small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4
Acta Crystallographica Section B, 2010, 66, 253-259
2200371 CIF
HKL
Paper		C22 H27 Cl2 N PbI 1 2 110.3759; 9.7074; 10.84
90; 92.432; 90		1090.85Howie, R. Alan; .; Wardell, James L.
Tetramethylammonium dichlorotriphenylplumbate
Acta Crystallographica Section E, 2001, 57, m256-m258
2224136 CIF
HKL
Paper		C15 H13 Br2 N OI 1 2 115.523; 9.3533; 21.527
90; 109.287; 90		2950.1Xia, Dong-Guo; Ye, Ya-Fen; Lei, Ke-Wei
2,4-Dibromo-6-{(<i>E</i>)-[(<i>R</i>)-1-phenylethyl]iminomethyl}phenol
Acta Crystallographica Section E, 2009, 65, o3168
2232690 CIF
HKL
Paper		C18 H28 N4 O6I 1 2 121.1662; 9.8317; 22.565
90; 117.163; 90		4177.9Wu, Xuefen; Chen, Xi; Hou, Yimin
2-Methoxy-<i>N</i>-[(<i>S</i>)-3-methylbutan-2-yl]-6-{[(<i>S</i>)-3-methylbutan-2-yl]amino}-3,5-dinitrobenzamide
Acta Crystallographica Section E, 2011, 67, o3482
2241563 CIF
HKL
Paper		C10 H14 Cl3 N O5I 1 2 114.8821; 5.5847; 17.2971
90; 105.847; 90		1382.96Oishi, Takeshi; Yasushima, Daichi; Yuasa, Kihiro; Sato, Takaaki; Chida, Noritaka
Crystal structure of (+)-methyl (<i>E</i>)-3-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate
Acta Crystallographica Section E, 2016, 72, 343-346
2241874 CIF
HKL		C18 H23 Br N2 O8I 1 2 16.1456; 5.6385; 28.2561
90; 94.147; 90		976.57Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah
Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate
Acta Crystallographica Section E, 2016, 72, 1544-1548
2241898 CIF
HKL
Paper		C18 H23 Cl N2 O8I 1 2 16.1768; 5.4349; 28.7651
90; 98.14; 90		955.92Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah
Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of <small>L</small>-dopa HCl and isotypic with its bromide counterpart
Acta Crystallographica Section E, 2016, 72, 1628-1632
2242824 CIF
Paper		C6 H6 Cs Na O7I 1 2 110.8913; 5.5168; 17.7908
90; 97.014; 90		1060.96Cigler, Andrew J.; Kaduk, James A.
Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons
Acta Crystallographica Section E, 2019, 75, 223-227
2242825 CIFC6 H6 Cs Na O7I 1 2 110.8918; 5.5166; 17.7909
90; 97.016; 90		1060.97Cigler, Andrew J.; Kaduk, James A.
Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons
Acta Crystallographica Section E, 2019, 75, 223-227
2243713 CIF
HKL
Paper		C17 H14 O5I 1 2 118.9581; 6.6461; 22.4043
90; 94.163; 90		2815.4Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat
Isolation and crystal structure of lawinal
Acta Crystallographica Section E, 2021, 77, 75-78
2300193 CIF
Paper		C50 H64 O16I 1 2 121.1388; 9.1628; 24.5916
90; 98.1462; 90		4715.1Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300194 CIF
Paper		C50 H64 O16I 1 2 121.0262; 9.1138; 24.3796
90; 98.3396; 90		4622.43Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300195 CIF
Paper		C50 H64 O16I 1 2 120.9107; 9.0536; 24.2008
90; 98.9412; 90		4525.95Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300373 CIF
Paper		H18 O12 SI 1 2 17.44247; 7.445; 26.1168
90; 125.043; 90		1184.78Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S.
Structure and thermal expansion of sulfuric acid octahydrate
Journal of Applied Crystallography, 2012, 45, 1198-1207
2310497 CIFCa3 H34 O45 V10I 1 2 116.834; 10.156; 10.921
90; 93.13; 90		1864.33Swallow, A.G.; Ahmed, F.R.; Barnes, W.H.
The crystal structure of pascoite, Ca3 V10 O28 (H2 O)17
Acta Crystallographica (1,1948-23,1967), 1966, 21, 397-405
2312023 CIF
HKL
Paper		C14 H18 N2 O5 SI 1 2 17.66978; 8.7286; 23.7524
90; 98.7356; 90		1571.69Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G.
Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2<i>H</i>-pyran-2-yl]sulfan-yl}nicotino-nitrile.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1751-1754
2312396 CIF
Paper		C27 H41 N3 O5I 1 2 140.2744; 5.0976; 27.698
90; 105.729; 90		5473.5Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš
Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 56-61
4020309 CIFC31 H56 O6 SiI 1 2 122.109; 8.375; 19.32
90; 103.04; 90		3485.1Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White
Journal of Organic Chemistry, 2005, 70, 5449-5460
4021074 CIFC23 H25 N O2 S2I 1 2 113.011; 8.762; 18.586
90; 94.84; 90		2111.3Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan
Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids
The Journal of Organic Chemistry, 2004, 69, 8681-8693
4021686 CIFC26 H25 N O2I 1 2 117.077; 6.1; 20.335
90; 94.74; 90		2111.1Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch
Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines
Journal of Organic Chemistry, 2006, 71, 3804-3815
4022573 CIFC25 H46 O6 Si2I 1 2 111.811; 7.5016; 34.063
90; 94.85; 90		3007.2Michael Klein; Manfred Zabel; Günther Bernhardt; Burkhard König
Tetrahydroxy 10-Membered Cyclic Enediynes
Journal of Organic Chemistry, 2003, 68, 9379-9383
4026552 CIFC40 H58 Br4 N2 O3 Si2 ZnI 1 2 18.7606; 14.0441; 19.0306
90; 102.267; 90		2287.97Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz
Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts
Journal of Organic Chemistry, 2011, 76, 7065-7075
4029512 CIFC24 H40 O3I 1 2 115.9947; 6.2325; 21.7799
90; 99.498; 90		2141.41Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.
Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.
The Journal of organic chemistry, 2014, 79, 5636-5643
4031373 CIFCl6.5 F3.5 Sb2I 1 2 112.921; 7.423; 12.921
90; 90.1; 90		1239.29Ballard, J.G.; Slim, D.R.; Birchall, T.
X-ray crystal structure of tetra-antimony(V) tridecachloride heptachloride, (Sb2 Cl6.5 F3.5)2
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1979, 1979, 62-65
4031472 CIFC7 H4 K4 N7 O2 ReI 1 2 19.244; 8.998; 9.241
90; 92.53; 90		767.894Manoli, J.M.; Potvin, C.; Bregeault, J.M.; Griffith, W.P.
Crystal structure of potassium heptacyanorhenate(III) dihydrate
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1980, 1980, 192-195
4034572 CIFC46 H63 O8I 1 2 128.4549; 6.8073; 70.292
90; 96.374; 90		13531.5Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia
Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.
The Journal of organic chemistry, 2019, 84, 13595-13603
4034715 CIFC22 H31 N5 O3 SiI 1 2 123.3389; 15.1799; 42.3532
90; 102.714; 90		14637.1Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming
Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.
The Journal of organic chemistry, 2018, 83, 15512-15523
4036133 CIFC20 H20 F N3 O5I 1 2 113.0908; 6.7839; 20.8733
90; 95.182; 90		1846.11Medvecky, Michal; Istrate, Alena; Leumann, Christian J.
Synthesis and properties of 6'-fluoro-tricyclo-DNA.
The Journal of organic chemistry, 2015, 80, 3556-3565
4036375 CIFC63 H68 Cl2 Fe2 N2 O4I 1 2 19.4054; 10.8382; 28.0924
90; 97.196; 90		2841.12Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.
Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
The Journal of organic chemistry, 2015, 80, 10163-10176
4037529 CIFC18 H16 O2I 1 2 113.5394; 5.6134; 19.1987
90; 107.79; 90		1389.37Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun
Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.
The Journal of organic chemistry, 2017, 82, 12224-12237
4039027 CIF
HKL		C28 H46 N2 O7I 1 2 112.8992; 6.1645; 35.2338
90; 100.471; 90		2755.03Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen
Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures
Journal of Organic Chemistry, 2024, 89, 4283-4293
4061708 CIFC44 H32 O2 P2I 1 2 112.3895; 10.1181; 13.7513
90; 90.954; 90		1723.6Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario
Organometallics, 2005
4065139 CIFC74 H96 N4 O2.5 Pd2I 1 2 116.368; 12.22; 17.633
90; 97.446; 90		3497.2Egbert, Jonathan D.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.
Synthesis, Characterization, and Reactivity of N-Heterocyclic Carbene Palladium(II) Hydroxide Dimers
Organometallics, 2011, 30, 4494
4071401 CIFC37 H35 Cl2 I P2 RuI 1 2 116.3029; 11.3714; 20.1949
90; 112.352; 90		3462.57Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred
Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]
Organometallics, 2008, 27, 3514
4088883 CIFC51.5 H79 Lu N4 Si2I 1 2 121.7416; 11.489; 43.5432
90; 104.408; 90		10534.5Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.
Enantiopure Amidinate Complexes of the Rare-Earth Elements
Organometallics, 2016, 35, 3474
4107082 CIFC42.75 H36.5 Cl3.5 N O3 Os P2I 1 2 126.725; 10.8721; 26.968
90; 91.165; 90		7834Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia
Electrophilic Substitution Reactions of Metallabenzynes
Journal of the American Chemical Society, 2011, 133, 18350-18360
4110460 CIFC30 H36 N2 O3I 1 2 115.64; 9.128; 17.615
90; 97.83; 90		2491.3Shunji Aoki; Yasuo Watanabe; Mami Sanagawa; Andi Setiawan; Naoyuki Kotoku; Motomasa Kobayashi
Cortistatins A, B, C, and D, Anti-angiogenic Steroidal Alkaloids, from the Marine Sponge Corticium simplex
Journal of the American Chemical Society, 2006, 128, 3148-3149
4113818 CIFC162 H324 K9 Mo3 N18 O54 Sb24I 1 2 125.8992; 25.3671; 38.125
90; 92.409; 90		25025.5Banu Kesanli; James Fettinger; Bryan Eichhorn
Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy
Journal of the American Chemical Society, 2003, 125, 7367-7376
4115007 CIFC22 H12 F8 N2I 1 2 122.133; 8.1435; 22.136
90; 107.488; 90		3805.4Igor V. Alabugin; Serguei V. Kovalenko
C1-C5 Photochemical Cyclization of Enediynes
Journal of the American Chemical Society, 2002, 124, 9052-9053
4117208 CIFC153.12 H214.32 Cl4 N4 Na6 Ni16 O97.04I 1 2 129.999; 13.163; 30.994
90; 108.83; 90		11584Brechin, Euan K.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.
Four Cubes and An Octahedron: A Nickel-Sodium Supracage Assembly
Journal of the American Chemical Society, 1996, 118, 11293-11294
4117625 CIFC25 H30 O6I 1 2 116.9929; 7.3879; 17.139
90; 95.18; 90		2142.9Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang
Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans
Journal of the American Chemical Society, 2012, 134, 4709-4720
4117976 CIFC20 H18 F3 N OI 1 2 124.3724; 5.7222; 24.8875
90; 104.722; 90		3356.96Aakarsh Saxena; Bonnie Choi; Hon Wai Lam
Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones
Journal of the American Chemical Society, 2012, 134, 8428-8431
4118232 CIFC31 H27 Br N2 OI 1 2 125.396; 7.751; 27.382
90; 111.766; 90		5006Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin
Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds
Journal of the American Chemical Society, 2012, 134, 11128-11131
4119060 CIFC76 H67 O14 P3 RuI 1 2 125.919; 11.0585; 26.886
90; 115.146; 90		6976Emma L. McInturff; Eiji Yamaguchi; Michael J. Krische
Chiral-Anion-Dependent Inversion of Diastereo- and Enantioselectivity in Carbonyl Crotylation via Ruthenium-Catalyzed Butadiene Hydrohydroxyalkylation
Journal of the American Chemical Society, 2012, 134, 20628-20631
4120224 CIFC35 H52 N4 O4I 1 2 114.7885; 15.481; 14.806
90; 98.104; 90		3355.8Zhiguo Bian; Christopher C. Marvin; Stephen F. Martin
Enantioselective Total Synthesis of (-)-Citrinadin A and Revision of Its Stereochemical Structure
Journal of the American Chemical Society, 2013, 135, 10886-10889
4122385 CIFC276 H212 B6 Cu3 F24 N22 O26I 1 2 117.0006; 20.7788; 43.9704
90; 90.9576; 90		15530.5Gütz, Christoph; Hovorka, Rainer; Struch, Niklas; Bunzen, Jens; Meyer-Eppler, Georg; Qu, Zheng-Wang; Grimme, Stefan; Topić, Filip; Rissanen, Kari; Cetina, Mario; Engeser, Marianne; Lützen, Arne
Enantiomerically Pure Trinuclear Helicates via Diastereoselective Self-Assembly and Characterization of Their Redox Chemistry.
Journal of the American Chemical Society, 2014, 136, 11830-11838
4122701 CIFC35 H52 N4 O4I 1 2 114.7885; 15.481; 14.806
90; 98.104; 90		3355.8Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.
Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.
Journal of the American Chemical Society, 2014, 136, 14184
4123764 CIFC16 H20 Cl N OI 1 2 119.2746; 7.6362; 20.2859
90; 101.507; 90		2925.76Zou, Yike; Melvin, Jason E.; Gonzales, Stephen S.; Spafford, Matthew J.; Smith, 3rd, Amos B
Total Synthesis of (-)-Nodulisporic Acid D.
Journal of the American Chemical Society, 2015, 137, 7095-7098
4128370 CIFC19 H19 Br O2I 1 2 117.9455; 4.9568; 19.3568
90; 112.704; 90		1588.41Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.
Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.
Journal of the American Chemical Society, 2019, 141, 5461-5469
4130035 CIFC21 H20 Br N O2I 1 2 122.756; 5.9048; 27.03
90; 95.999; 90		3612.1Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.
Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.
Journal of the American Chemical Society, 2016, 138, 2134-2137
4130435 CIFC34 H34 Br2 N2 O3I 1 2 117.3093; 6.24868; 29.0192
90; 102.724; 90		3061.65Poulsen, Pernille H.; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker
Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis.
Journal of the American Chemical Society, 2016, 138, 6412-6415
4130517 CIFC22 H20 O2I 1 2 19.4271; 6.00798; 29.03
90; 93.1504; 90		1641.71Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai
Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.
Journal of the American Chemical Society, 2016, 138, 8068-8071
4130759 CIFC26 H22 SI 1 2 118.49; 6.052; 19.25
90; 118.64; 90		1891Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro
Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.
Journal of the American Chemical Society, 2016, 138, 10351-10355
4131298 CIFC26.67 H30.67 O1.33I 1 2 133.36; 5.857; 34.01
90; 90.95; 90		6644Guo, Yi-An; Liang, Tao; Kim, Seung Wook; Xiao, Hongde; Krische, Michael J.
Nickel-Catalyzed Cross-Coupling of Vinyl Dioxanones to Form Enantiomerically Enriched Cyclopropanes.
Journal of the American Chemical Society, 2017, 139, 6847-6850
4132450 CIFC16 H20 Cl N OI 1 2 119.2746; 7.6362; 20.2859
90; 101.507; 90		2925.76Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B
Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.
Journal of the American Chemical Society, 2018, 140, 9502-9511
4134173 CIFC14 H12 SI 1 2 114.0151; 6.2442; 24.7473
90; 101.462; 90		2122.52Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas
Boronate Ester Bullvalenes.
Journal of the American Chemical Society, 2020, 142, 3680-3685
4302109 CIFC29 H35 F6 O6 RuI 1 2 119.28; 8.913; 20.21
90; 105.75; 90		3343Hisako Sato; Yukie Mori; Yutaka Fukuda; Akihiko Yamagishi
Syntheses and Vibrational Circular Dichroism Spectra of the Complete Series of [Ru((-)- or (+)-tfac)n(acac)3-n] (n= 0 ~ 3, tfac = 3-Trifluoroacetylcamphorato and acac = Acetylacetonato)
Inorganic Chemistry, 2009, 48, 4354-4361
4306485 CIFB2 Ge3 K2 O10I 1 2 111.86; 6.16; 12
90; 96.696; 90		870.7Fang Kong; Hai-Long Jiang; Ting Hu; Jiang-Gao Mao
CsB3GeO7 and K2B2Ge3O10: Explorations of New Second-Order Nonlinear Optical Materials in the Borogermanate Systems
Inorganic Chemistry, 2008, 47, 10611-10617
4309225 CIFC181 H180 Cd17 P2 S30I 1 2 134.2588; 35.9324; 35.1
90; 90.239; 90		43208Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan
Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties
Inorganic Chemistry, 2005, 44, 5447-5458
4309286 CIFCl3 Cu Nd4 O15 Te5I 1 2 117.719; 5.663; 19.39
90; 103.573; 90		1891.3Yue-Ling Shen; Jiang-Gao Mao
Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures
Inorganic Chemistry, 2005, 44, 5328-5335
4311145 CIFC10 H22 Cl6 N2 O5 Sn2I 1 2 118.3225; 6.2068; 20.3289
90; 94.787; 90		2303.8Yong-Hua Li; Zhi-Rong Qu; Hong Zhao; Qiong Ye; Li-Xin Xing; Xi-Sen Wang; Ren-Gen Xiong; Xiao-Zeng You
A Novel TGS-like Inorganic-Organic Hybrid and a Preliminary Investigation of Its Possible Ferroelectric Behavior
Inorganic Chemistry, 2004, 43, 3768-3770
4311153 CIFC162 H324 K9 N18 Nb3 O54 Sb24I 1 2 126.0588; 25.3583; 38.0508
90; 92.365; 90		25122.8Banu Kesanli; James Fettinger; Brian Scott; Bryan Eichhorn
Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E = As, Sb) Complexes: Synthesis, Structure, and Spectroscopy
Inorganic Chemistry, 2004, 43, 3840-3846
4314162 CIFC21 H27 Cl Fe3 N3 O20I 1 2 110.1547; 16.5497; 10.3205
90; 109.82; 90		1631.7Wendy Hibbs; Petra J. van Koningsbruggen; Atta M. Arif; William W. Shum; Joel S. Miller
One- and Two-Step Spin-Crossover Behavior of [FeII(isoxazole)6]2+ and the Structure and Magnetic Properties of Triangular [FeIII3O(OAc)6(isoxazole)3][ClO4]
Inorganic Chemistry, 2003, 42, 5645-5653
4315504 CIFH4 I4 K2 Mn O14I 1 2 18.356; 7.7609; 11.166
90; 90.09; 90		724.1Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao
Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems
Inorganic Chemistry, 2010, 49, 4599-4605
4315505 CIFCo H4 I4 K2 O14I 1 2 18.285; 7.738; 11.043
90; 90.06; 90		708Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao
Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems
Inorganic Chemistry, 2010, 49, 4599-4605
4315506 CIFH4 I4 K2 O14 ZnI 1 2 18.289; 7.733; 11.08
90; 90.12; 90		710.2Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao
Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems
Inorganic Chemistry, 2010, 49, 4599-4605
4315507 CIFH4 I4 K2 Mg O14I 1 2 18.305; 7.76; 11.101
90; 90.009; 90		715.4Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao
Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems
Inorganic Chemistry, 2010, 49, 4599-4605
4318950 CIFC14.5 H24 Br4 N6 O7.5 Re2I 1 2 115.349; 9.686; 18.658
90; 102.74; 90		2705.6Christian Tessier; Fernande D. Rochon; André L. Beauchamp
Oxorhenium(V) Complexes with the Non-Sulfur-Containing Amino Acid Histidine
Inorganic Chemistry, 2002, 41, 6527-6536
4321397 CIFGa N5 O14I 1 2 19.5857; 5.9399; 8.9759
90; 90.409; 90		511.058Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter
Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning
Inorganic Chemistry, 2000, 39, 4621-4624
4321398 CIFGa N5 O14I 1 2 19.5898; 5.9376; 8.9784
90; 90.42; 90		511.22Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter
Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning
Inorganic Chemistry, 2000, 39, 4621-4624
4322762 CIFC28 H40 N4 O2I 1 2 115.487; 8.1988; 20.958
90; 95.922; 90		2646.9Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani
Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation
Inorganic Chemistry, 1998, 37, 2158-2165
4331196 CIFC30 H33 N5 O2I 1 2 113.362; 12.353; 15.33
90; 93.21; 90		2526Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade
Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation
Inorganic Chemistry, 2012, 51, 12948-12958
4331399 CIFAg Hg O2I 1 2 116.74; 7.25; 10.62
90; 90.05; 90		1288.9Britton, D.; Mahon, C.
The Crystal Structure of Mercury(II) Cyanide-Silver Nitrate Dihydrate
Inorganic Chemistry, 1971, 10, 586-589
4332194 CIFC6 H16 Cl Cu0.5 N2 O4I 1 2 19.9546; 8.383; 13.289
90; 97.437; 90		1099.6Naumov, Panče; Sakurai, Kenji; Asaka, Toru; Belik, Alexei A.; Adachi, Shin-ichi; Takahashi, Junichi; Koshihara, Shin-ya
Structural Basis for the Phase Switching of Bisaminecopper(II) Cations at the Thermal Limits of Lattice Stability
Inorganic Chemistry, 2006, 45, 5027-5033
4336696 CIFAl Eu2 N0.1 O3.75I 1 2 13.71128; 3.68935; 12.39
90; 90.686; 90		169.634Keitaro Tezuka; Yoshimi Tokuhara; Makoto Wakeshima; Yue Jin Shan; Hideo Imoto; Yukio Hinatsu
Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4
Inorganic Chemistry, 2013, 52, 12972-12979
4343630 CIFC7 H4 K4 N7 O2 VI 1 2 19.229; 9.097; 9.341
90; 92.49; 90		783.495Levenson, R.A.; Towns, R.L.R.
Crystal and molecular structure of potassium heptacyanovanadate(III) dihydrate
Inorganic Chemistry, 1974, 13, 105-109
4349972 CIFC65 H62 Cu2 N8 O6I 1 2 114.5931; 12.2058; 16.6043
90; 95.409; 90		2944.4Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang
Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile
Inorganic Chemistry Frontiers, 2019, 6, 1135
4509187 CIFC284 H142 Cl4 N12 S2 Zn2I 1 2 120.177; 15.218; 29.833
90; 103.466; 90		8908.5Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Crystal Growth & Design, 2009, 9, 1170
4514408 CIFC62 H74.56 Ag O4.78 P2I 1 2 111.7485; 26.0007; 18.5841
90; 106.036; 90		5456Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor
Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines
ACS Catalysis, 2019, 9, 5268
4514894 CIFC19 H30 O3I 1 2 110.013; 7.4903; 22.9488
90; 98.688; 90		1701.42Li, Junqi; Grosslight, Samantha; Miller, Scott J.; Sigman, Matthew S.; Toste, F. Dean
Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids
ACS Catalysis, 2019, 9794
4515469 CIFC17 H14 Br N O4I 1 2 122.7393; 5.2121; 14.2943
90; 93.045; 90		1691.76Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.
Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.
ACS catalysis, 2019, 9, 242-252
4517697 CIFC24 H42 O2I 1 2 17.6128; 9.7121; 87.346
90; 90.272; 90		6458Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.
Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage
ACS Catalysis, 2020, 6450-6456
4518644 CIFC180 H192 Ag Cu16 P12 S8I 1 2 125.1664; 17.0909; 22.9344
90; 91.506; 90		9861.1Han, Bao-Liang; Wang, Zhi; Gupta, Rakesh Kumar; Feng, Lei; Wang, Suna; Kurmoo, Mohamedally; Gao, Zhi-Yong; Schein, Stan; Tung, Chen-Ho; Sun, Di
Precise Implantation of an Archimedean Ag@Cu<sub>12</sub> Cuboctahedron into a Platonic Cu<sub>4</sub>Bis(diphenylphosphino)hexane<sub>6</sub> Tetrahedron.
ACS nano, 2021
6000694 CIFCa H O4.5 SI 1 2 112.0317; 6.9269; 12.6712
90; 90.27; 90		1056.04Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.
Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods
Journal of Solid State Chemistry, 1995, 117, 165-176
6000695 CIFCa H1.2 O4.6 SI 1 2 111.9845; 6.9292; 12.7505
90; 90; 90		1058.84Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.
Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods
Journal of Solid State Chemistry, 1995, 117, 165-176
7000849 CIFC10 H10 N8 PtI 1 2 111.6121; 3.8371; 14.1714
90; 102.756; 90		615.85Mackay, Fiona S.; Farrer, Nicola J.; Salassa, Luca; Tai, Hui-Chung; Deeth, Robert J.; Moggach, Stephen A.; Wood, Peter A.; Parsons, Simon; Sadler, Peter J.
Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes
Dalton Transactions, 2009, 2315-2325
7001513 CIFC25 H29 B2 Cu1.5 F8 N5 O6.5I 1 2 112.5604; 6.9287; 35.989
90; 92.265; 90		3129.6Biswas, Chaitali; Drew, Michael G. B.; Estrader, Marta; Ghosh, Ashutosh
Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures
Dalton Transactions, 2009, 5015-5022
7001696 CIFAg2 Mo3 O16 Te3I 1 2 17.398; 11.296; 8.245
90; 97.73; 90		682.8Zhou, Yong; Hu, Chun-Li; Hu, Ting; Kong, Fang; Mao, Jiang-Gao
Explorations of new second-order NLO materials in the AgI-MoVI/WVI-TeIV-O systems
Dalton Transactions, 2009, 5747
7019025 CIFC23 H19 N3 S2I 1 2 15.5776; 7.5976; 22.5774
90; 92.097; 90		956.11Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.
Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis
Dalton Transactions, 2012, 41, 5949
7031204 CIFC24 H54 Mn8 O47I 1 2 111.7817; 9.9864; 21.2165
90; 101.519; 90		2445.99Falvello, Larry R.; Forcén-Vázquez, Elena; Palacio, Fernando; Sanz, Sergio; Tomás, Milagros
A discrete neutral transition-metal citrate cubane with an M4O4 core; coordinative versatility of the [M(II)4(citrate)4](8-) fragment.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 10700-10704
7037915 CIFC24 H20 Cu I2 N2 O5I 1 2 115.4024; 5.8321; 15.4255
90; 118.75; 90		1214.83Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki
The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3398-3406
7037917 CIFC26 H26 Cu N2 O7I 1 2 114.9535; 6.02142; 15.2932
90; 116.885; 90		1228.19Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki
The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3398-3406
7040054 CIFC132 H126 Cl8 Fe2 N26 O32 Zn2I 1 2 114.5861; 13.0946; 17.1156
90; 99.518; 90		3224.06Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter
(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 13798-13809
7045500 CIFC29 H24.5 N7 Ni O6I 1 2 19.2283; 15.0673; 25.829
90; 98.81; 90		3549Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang
Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI)
Dalton Transactions, 2018
7046340 CIFC22 H26 N4 O8 ZnI 1 2 17.4908; 5.4877; 26.5634
90; 97.74; 90		1082Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046341 CIFC22 H26 N4 O8 ZnI 1 2 17.2705; 5.2464; 26.144
90; 99; 90		985Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046342 CIFC22 H26 N4 O8 ZnI 1 2 17.0813; 5.2012; 25.88
90; 99.31; 90		941Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046343 CIFC22 H26 N4 O8 ZnI 1 2 17.3494; 5.3119; 26.31
90; 98.483; 90		1015.9Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046344 CIFC22 H26 N4 O8 ZnI 1 2 17.4106; 5.3751; 26.411
90; 98.306; 90		1041Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046345 CIFC22 H26 N4 O8 ZnI 1 2 17.1762; 5.2148; 26.07
90; 99.05; 90		963.5Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7046346 CIFC22 H26 N4 O8 ZnI 1 2 17.4416; 5.4166; 26.503
90; 98.046; 90		1057.8Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 10654-10659
7048079 CIFC92 H108 Cs Eu O8I 1 2 121.3014; 8.0066; 23.77
90; 99.984; 90		3992.62Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano
Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 17469-17478
7061374 CIFC16 H19 N3 O2I 1 2 116.8439; 8.1225; 29.795
90; 97.644; 90		4040.2Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.
Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups
New Journal of Chemistry, 2022, 46, 5996-6008
7061531 CIFC30 H24 Cl2 N4 O6 Zn2I 1 2 115.9066; 13.5695; 15.9528
90; 90.606; 90		3443.1Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui
Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions
New Journal of Chemistry, 2022, 46, 12910-12917
7062946 CIFC29 H41 N5 O12I 1 2 110.5408; 8.9758; 16.0958
90; 98.351; 90		1506.71Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
New Journal of Chemistry, 2024, 48, 1688-1695
7109063 CIFC24 H22 Cl NI 1 2 130.0639; 6.1724; 21.5055
90; 104.784; 90		3858.6Ping-Xin Zhou; Jian-Yi Luo; Lian-Biao Zhao; Yu-Ying Ye; Yong-Min Liang
Palladium-catalyzed insertion of N-tosylhydrazones for the synthesis of isoindolines
Chem.Commun., 2013, 49, 3254
7109588 CIFC29 H20 Co N2 O3 PI 1 2 113.042; 7.3431; 13.093
90; 91.215; 90		1253.6Wenfeng Lo; Chunhua Hu; Marck Lumeij; Richard Dronskowski; Michael Lovihayeem; Oren Ishal; Jianfeng Jiang
[CoI(CN)2(CO)3]^-^, a new discovery from an 80-year-old reactio
Chem.Commun., 2013, 49, 7382
7112698 CIFC69 H114 Li2 Mn O2 Si8I 1 2 115.2016; 12.4057; 20.766
90; 94.668; 90		3903.2Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.
Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.
Chemical communications (Cambridge, England), 2011, 47, 11680-11682
7114202 CIFC53 H75 Ce F9 N8 O16.5 S3I 1 2 132.176; 12.754; 33.047
90; 93.46; 90		13537Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst
Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/
Chemical Communications, 2002, 1120
7114203 CIFC53 H74 F9 N8 O16 Pr S3I 1 2 132.148; 12.713; 32.952
90; 93.7; 90		13439Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst
Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/
Chemical Communications, 2002, 1120
7114204 CIFC53 H74 F9 Gd N8 O16 S3I 1 2 132.018; 12.654; 32.715
90; 93.63; 90		13228Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst
Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/
Chemical Communications, 2002, 1120
7114205 CIFC53 H76 Er F9 N8 O17 S3I 1 2 132.134; 12.697; 32.738
90; 93.54; 90		13332Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst
Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/
Chemical Communications, 2002, 1120
7114919 CIFC66 H80 O38I 1 2 120.767; 13.96; 28.085
90; 107.479; 90		7766Stanier, Carol A.; O’Connell, Michael J.; Anderson, Harry L.; Clegg, William
Synthesis of fluorescent stilbene and tolan rotaxanes by Suzuki coupling
Chemical Communications, 2001, 493
7115948 CIFC44 H30 O19 Pb4I 1 2 19.988; 17.698; 12.489
90; 95.59; 90		2197.2Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson
A facile single crystal to single crystal transition with significant structural contraction on desolvation
Chem.Commun., 2014, 50, 14436
7117140 CIFC55 H92 B2 F8 N4 Ni O8I 1 2 116.452; 8.8684; 22.2394
90; 110.682; 90		3035.68Yulong Zhang; Na Yang; Xiaohua Liu; Jing Guo; Xiying Zhang; Lili Lin; Changwei Hu; Xiaoming Feng
Reversal of enantioselective Friedel-Crafts C3-alkylation of pyrrole by slightly tuning the amide units of N,N'-dioxide ligands
Chem.Commun., 2015, 51, 8432
7117459 CIFC27 H18 O6I 1 2 131.419; 30.116; 45.32
90; 90.412; 90		42881Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C.
High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework.
Chemical communications (Cambridge, England), 2015, 51, 11642-11645
7118125 CIFC72.5 H101.76 N12 O7.38I 1 2 121.656; 19.8282; 22.267
90; 106.048; 90		9188.8Briggs, Michael E.; Slater, Anna G.; Lunt, Neil; Jiang, Shan; Little, Marc A.; Greenaway, Rebecca L.; Hasell, Tom; Battilocchio, Claudio; Ley, Steven V.; Cooper, Andrew I.
Dynamic flow synthesis of porous organic cages.
Chemical communications (Cambridge, England), 2015, 51, 17390-17393
7118232 CIFC31 H30 Br N3 O5I 1 2 114.6406; 9.57209; 19.5953
90; 97.003; 90		2725.62Zhao, Kun; Zhi, Ying; Li, Xinyi; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter
Asymmetric synthesis of 3,3'-pyrrolidinyl-dispirooxindoles via a one-pot organocatalytic Mannich/deprotection/aza-Michael sequence.
Chemical communications (Cambridge, England), 2016, 52, 2249-2252
7119512 CIFC18 H13 Cl O3I 1 2 112.181; 4.9624; 48.446
90; 91.245; 90		2927.7Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.
6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.
Chemical communications (Cambridge, England), 2017, 53, 2555-2558
7119571 CIFC32 H35 Cl N2 O7I 1 2 114.196; 10.2666; 22.5256
90; 104.088; 90		3184.24Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.
Chemical communications (Cambridge, England), 2017, 53, 2060-2063
7122115 CIFC74 H76 O8 P4 Pd2I 1 2 116.0483; 41.2069; 22.6837
90; 101.452; 90		14702.1Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre
Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.
Chemical communications (Cambridge, England), 2018, 54, 10132-10135
7122315 CIFC23 H25 N O5I 1 2 110.7133; 12.3487; 15.4466
90; 98.908; 90		2018.9Bedekar, Ashutosh; Khanvilkar, Aditya N.
Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy
Chemical Communications, 2018
7123046 CIFC70 H90 Au4 Cu2 N8 O25 P4 Pd2 S4I 1 2 120.842; 17.342; 25.184
90; 96.43; 90		9045Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi
Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer
Chemical Communications, 2019
7123085 CIFC29 H28 O6I 1 2 117.305; 7.58059; 19.3663
90; 109.178; 90		2399.52Liu, Lin; Lei, Lin-Sheng; Zhan, Zong-Song; Liu, Si-Zhan; Wang, Yu-Xiao; Tu, Yong Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Ma, Ai-Jun; Wang, Shao-Hua
A Catalytic Asymmetric One-Pot [3+2] Cyclization/Semipinacol Rearrangement Sequence: An Efficient Construction of MultiSubstituted 3H-Spiro[benzofuran-2,1'-cyclopentane] Skeleton
Chemical Communications, 2019
7124348 CIFC15 H18 Cl N5 O3I 1 2 111.5414; 7.3357; 19.5853
90; 100.033; 90		1632.82Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming
Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs
Chemical Communications, 2019
7124645 CIFC21 H27 N3 O4I 1 2 116.8244; 6.0896; 41.9414
90; 101.245; 90		4214.6Li, Dan; Wang, Yijie; Wang, Linqing; Wang, Jie; Wang, Pengxin; Wang, Kezhou; Lin, Li; Liu, Dongsheng; Jiang, Xianxing; Yang, Dongxu
Simple magnesium catalyst mediated γ-butyrolactams in desymmetrization of meso-aziridines.
Chemical communications (Cambridge, England), 2016, 52, 9640-9643
7126357 CIFC18 H12 N2 S2I 1 2 17.8212; 5.9264; 16.1736
90; 91.155; 90		749.52Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao
Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.
Chemical communications (Cambridge, England), 2020, 56, 5763-5766

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