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

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