Crystallography Open Database

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1562204 CIFCo Mo O6 TeP 21 21 25.2312; 5.055; 8.8079
90; 90; 90		232.91Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej
Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals
Journal of Solid State Chemistry, 2014, 220, 142-148
1562205 CIFCo Mo O6 TeP 21 21 25.2427; 5.0621; 8.8464
90; 90; 90		234.78Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej
Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals
Journal of Solid State Chemistry, 2014, 220, 142-148
1562749 CIFC15 H24 O3P 21 21 212.1025; 16.7657; 7.1219
90; 90; 90		1445.08Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang
Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.
Journal of natural products, 2021, 84, 1626-1637
1563355 CIFC25 H32 N2 O2 SP 21 21 224.65475; 20.81653; 8.55464
90; 90; 90		4390.47Zhu, Xin-Qi; Hong, Pan; Zheng, Yan-Xin; Zhen, Ying-Ying; Hong, Feng-Lin; Lu, Xin; Ye, Long-Wu
Copper-catalyzed asymmetric cyclization of alkenyl diynes: method development and new mechanistic insights
Chemical Science, 2021
1563592 CIFC39 H50 O7P 21 21 210.349; 43.8716; 7.7286
90; 90; 90		3508.99Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min
Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis
Chemical Science, 2021
1563820 CIFC36 H40 N2 O8 TiP 21 21 210.9212; 25.0232; 12.2054
90; 90; 90		3335.53Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica
(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes
Inorganica Chimica Acta, 2018, 483, 136-147
1563842 CIFC10 H26 Cl N2 O4 P PdP 21 21 218.158; 9.728; 9.402
90; 90; 90		1660.8Skarżyńska, Anna; Gniewek, Andrzej
From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry
Inorganica Chimica Acta, 2018, 483, 248-251
1564538 CIFC19.8 H24.8 N2 O3.6P 21 21 224.6363; 16.8157; 10.0197
90; 90; 90		4150.9Chaker, Ziyad; Chervy, Pierre; Boulard, Yves; Bressanelli, Stéphane; Retailleau, Pascal; Paternostre, Maité; Charpentier, Thibault
Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space.
The journal of physical chemistry. B, 2021, 125, 9454-9466
1564600 CIFC47 H64.5 Cl0.5 N6P 21 21 217.8982; 41.8156; 5.6166
90; 90; 90		4203.6Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.
Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations
Chemical Science, 2021
1565508 CIFC40 H62 O9P 21 21 223.336; 25.356; 6.3309
90; 90; 90		3746Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min
Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.
Journal of natural products, 2021, 84, 2971-2980
1565521 CIFC19 H18 O5P 21 21 215.0046; 30.297; 6.7685
90; 90; 90		3076.92Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee
Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.
Journal of natural products, 2021, 84, 2775-2785
1565735 CIFC28 H34 Co N4 O6P 21 21 220.518; 9.241; 15.071
90; 90; 90		2857.6Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.
Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies
Inorganica Chimica Acta, 2019, 498, 119087
1566082 CIFC21.99 H35.67 Co N10P 21 21 215.7659; 15.7712; 21.2815
90; 90; 90		5291.6Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole
Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures
Chemical Science, 2022
1566083 CIFC22.01 H35.86 Fe N10P 21 21 215.7971; 15.8093; 21.4138
90; 90; 90		5347.9Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole
Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures
Chemical Science, 2022
1566405 CIFC38 H34 O8P 21 21 215.0488; 25.2228; 8.6864
90; 90; 90		3297.1Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin
Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes
Chemical Science, 2022
1567229 CIFC14 H8 F2 O2P 21 21 26.1423; 23.2488; 4.0149
90; 90; 90		573.33Divya, Indira S.; Saravanan, Kandasamy; Haseba, Shodai; Sasaki, Toshiyuki; Koshima, Hideko; Wozniak, Krzysztof; Varughese, Sunil
Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending
Chemical Science, 2022
1568124 CIFC18 H36 Br2 Eu N2 O6P 21 21 213.6795; 17.7174; 9.9143
90; 90; 90		2402.88Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang
4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.
Materials horizons, 2023, 10, 625-631
1568454 CIFC25 H28 B F4 N O2P 21 21 214.3154; 26.4615; 6.2605
90; 90; 90		2371.52Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng
Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes
Chemical Science, 2023, 14, 2342-2347
1568687 CIFC27.5 H35 N O2 SiP 21 21 214.2116; 19.3311; 9.9202
90; 90; 90		2725.3Lee, Donghyeon; Shintani, Ryo
Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.
Chemical science, 2023, 14, 4114-4119
1568892 CIFC36.5 H31 Cl3 F6 N2 O9 S2P 21 21 210.4362; 22.443; 18.2762
90; 90; 90		4280.6Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.
Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.
Chemical science, 2023, 14, 4893-4900
1569085 CIFC40 H30 Cd N4 O19P 21 21 224.891; 7.3061; 11.7772
90; 90; 90		2141.8Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui
The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex
Molecules, 2023, 28, 3709
1569731 CIFC58 H44 P2P 21 21 213.5549; 18.4613; 8.6468
90; 90; 90		2163.8Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei
Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.
Chemical science, 2023, 14, 10446-10457
1570229 CIFCo4 Fe2 Na14 O97 W18P 21 21 226.056; 20.996; 17.747
90; 90; 90		9709Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang
Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.
Chemical science, 2023, 14, 13722-13733
1570254 CIFC25 H31 O6.5P 21 21 212.4675; 21.6679; 9.6367
90; 90; 90		2603.3Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min
Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.
Chemical science, 2023, 14, 13410-13418
1570261 CIFC25 H31 O6.5P 21 21 212.2867; 21.497; 9.6289
90; 90; 90		2543.3Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min
Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.
Chemical science, 2023, 14, 13410-13418
1570409 CIFC40 H20 Cl4 O7 S8P 21 21 217.9065; 15.4002; 7.3943
90; 90; 90		2039.08Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang
NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.
Chemical science, 2024, 15, 1692-1699
1570704 CIF
Paper		C9 H10 O TeP 21 21 213.6947; 23.467; 5.2287
90; 90; 90		1680.4Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas
5,6-Dimethylbenzo[d][1,3]oxatellurole
IUCrData, 2024, 9, x231076
1571123 CIFC32 H20 N2 O4 SeP 21 21 213.7518; 19.5095; 4.7253
90; 90; 90		1267.75Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra
Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.
Molecules (Basel, Switzerland), 2024, 29, 792
1571335 CIFC17 H16 N2P 21 21 225.8699; 14.53966; 7.44906
90; 90; 90		2801.89Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme
Axially-chiral boramidine for detailed (chir)optical studies.
Chemical science, 2024, 15, 6530-6535
1571359 CIFC34 H37 N9 O4P 21 21 224.616; 13.0934; 9.9979
90; 90; 90		3222.39Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571523 CIFC54 H121 N8 O49 V18P 21 21 214.9504; 16.4998; 19.5731
90; 90; 90		4828.27Yoshida, Isshin; Kikukawa, Yuji; Mitsuhashi, Ryoji; Hayashi, Yoshihito
Reactivity control of nitrate-incorporating octadecavanadates by changing the oxidation state and metal substitution.
Nanoscale, 2024, 16, 10584-10589
1572089 CIFC112 H114 Cu2 N6 O18P 21 21 219.721; 21.191; 13.551
90; 90; 90		5663Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo
Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.
Chemical science, 2024, 15, 13191-13200
1572092 CIFC112 H122 Cu2 N6 O22P 21 21 219.8; 21.138; 13.471
90; 90; 90		5638Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo
Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.
Chemical science, 2024, 15, 13191-13200
1572446 CIFC88 H108 Cu4 Na4 O32 Si12P 21 21 221.04564; 19.44883; 12.70519
90; 90; 90		5200.4Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di
Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.
Nanoscale, 2024, 16, 18389-18398
1572553 CIFC65 H66 Cl2 N4 O10P 21 21 229.7705; 26.2949; 8.8623
90; 90; 90		6937.52Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song
Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.
Chemical science, 2024, 15, 16627-16636
1572614 CIFC72 H158 Cl12 N8 O65 Zr6P 21 21 228.1804; 26.0321; 17.6857
90; 90; 90		12974.1García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572709 CIFC96 H49 Bi2 Co2 N8 O16P 21 21 241.3673; 24.2477; 9.2397
90; 90; 90		9268He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.
Chemical science, 2024, 15, 17498-17505
1572710 CIFC96 Bi2 N8 Ni2 O16P 21 21 241.7558; 24.304; 9.2689
90; 90; 90		9406.39He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.
Chemical science, 2024, 15, 17498-17505
1572733 CIFC62 H64 B4 N4 SeP 21 21 223.3386; 22.7872; 12.1836
90; 90; 90		6479.5Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko
Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.
Chemical science, 2024, 15, 17912-17917
1573306 CIFC36 H31 N2 O0.5P 21 21 221.6586; 12.8689; 9.8744
90; 90; 90		2752.22Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui
Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.
Materials horizons, 2025, 12, 1524-1531
1573693 CIFC23 H35 I N O5 SiP 21 21 28.5047; 46.069; 6.8117
90; 90; 90		2668.8Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1574540 CIFC137.5 H141 Cl5 O2P 21 21 234.8651; 29.9134; 11.7879
90; 90; 90		12294Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan
Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism
Chemical Science, 2025, 16, 9978-9987
1574541 CIFC135.75 H143 Cl1.5 O4.75P 21 21 235.148; 30.1006; 11.795
90; 90; 90		12478.8Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan
Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism
Chemical Science, 2025, 16, 9978-9987
1574599 CIFC26 H26 N4 O12 Zn2P 21 21 28.6082; 11.3392; 14.3006
90; 90; 90		1395.88Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices
Chemical Science, 2025, 16, 10742-10749
1574600 CIFC25 H23 N5 O12 Zn2P 21 21 28.5077; 11.3704; 14.5983
90; 90; 90		1412.18Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices
Chemical Science, 2025, 16, 10742-10749
1574602 CIFC2.6 H0.05 N0.4 O1.2 Zn0.2P 21 21 28.5952; 11.3099; 14.1931
90; 90; 90		1379.72Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices
Chemical Science, 2025, 16, 10742-10749
1574603 CIFC26 H24 N5 O12 Zn2P 21 21 211.3801; 8.5624; 14.6534
90; 90; 90		1427.84Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices
Chemical Science, 2025, 16, 10742-10749
1574660 CIFC15 H18 O2P 21 21 217.7579; 19.141; 7.3717
90; 90; 90		2505.7Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien
Bio-inspired total synthesis of daphnepapytone A
Chemical Science, 2025, 16, 11375-11380
1574799 CIFC15 H18 O2P 21 21 217.747; 19.054; 7.349
90; 90; 90		2485.1Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.
Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A
Chemical Science, 2025, 16, 11381-11385
1575247 CIFC12 I2 N2 PbP 21 21 29.6885; 17.909; 4.336
90; 90; 90		752.35Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng
Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.
Chemical science, 2025, 16, 16004-16015

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