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

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