Crystallography Open Database

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1570371 CIFC16 H18 Mn N8 O6 S2A 1 n 114.3651; 14.91024; 13.24655
90; 117.406; 90
2518.81Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz
From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.
Chemical science, 2023, 14, 14176-14181
7131424 CIFC8 H6 Cu N4 O2A e a 27.915; 13.333; 8.8132
90; 90; 90
930.1Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon
Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.
Chemical communications (Cambridge, England), 2023, 59, 4040-4043
7132161 CIFC28 H32 N6 O2A e a 211.4339; 9.3891; 24.5636
90; 90; 90
2637Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing
Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle
Chemical Communications, 2023
7247024 CIFC28 H23 N5 OA e a 217.7843; 34.8725; 7.54963
90; 90; 90
4682.15Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang
A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions
CrystEngComm, 2023, 25, 4531-4538
7247099 CIFC35 H42 N2 O12 S2A e a 213.1496; 21.1566; 13.3584
90; 90; 90
3716.3Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.
Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds
RSC Medicinal Chemistry, 2023
7712105 CIFC21 H21 N O4A e a 217.123; 14.4934; 7.3773
90; 90; 90
1830.83McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.
On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.
Dalton transactions (Cambridge, England : 2003), 2023, 52, 872-876
7713541 CIFC24 H34 N2A e a 216.1758; 14.0586; 9.7277
90; 90; 90
2212.17Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying
Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode
Dalton Transactions, 2023
7714022 CIFC62 H82 B2 Fe N6A e a 28.974; 29.2515; 21.3053
90; 90; 90
5592.7Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich
A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents
Dalton Transactions, 2023
7714210 CIFC8 H22 Cl4 Co N4 O3 Zn2A e a 225.8579; 11.1659; 13.2095
90; 90; 90
3813.94Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.
Synthesis of Nitrogen Mustards on Cobalt(III)
Dalton Transactions, 2023
7714230 CIFC21 H16 N2 O3A e a 216.38; 29.87; 6.843
90; 90; 90
3348Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.
Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell
Dalton Transactions, 2023
7714517 CIFC32 H44 Si2 Sn2A e a 216.7596; 21.3357; 8.6837
90; 90; 90
3105.1Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André
Bis(tetrelocenes) - fusing tetrelocenes into close proximity.
Dalton transactions (Cambridge, England : 2003), 2023
1570737 CIFC14 H18 Cl2 Cs Ge2 I7 N2A e m 28.4068; 45.0015; 8.3314
90; 90; 90
3151.9Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Nature, 2023, 620, 328-335
1568703 CIFC7 H6 N4A m a 29.8121; 15.2562; 4.5459
90; 90; 90
680.5Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji
Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.
Materials horizons, 2023, 10, 2149-2159
7712066 CIFC14 H34 I6 N6 OA m a 230.562; 10.349; 9.908
90; 90; 90
3133.8Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu
Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.
Dalton transactions (Cambridge, England : 2003), 2023, 52, 1753-1760
7712866 CIFAg P S4 SrA m a 210.0941; 10.0305; 6.4002
90; 90; 90
648.01Xing, Wenhao; Tang, Jian; Liang, Fei; Tang, Chunlan; Wu, Jieyun; Yin, Wenlong; Bin, Kang; Deng, Jianguo
Quaternary alkaline-earth metal thiophosphate SrAgPS4: syntheses, structure, and optical properties
Dalton Transactions, 2023
1568981 CIFNb O3 RbA m m 23.99152; 5.8223; 5.86394
90; 90; 90
136.277Fukuda, M.; Yamaura, K.
Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 300 K
Journal of the Ceramic Society of Japan, 2023, 131, 126-129
7712753 CIFC216 H304 Br8 Cl8 N16 O16 P16 Rh8A m m 232.9022; 37.7479; 12.5306
90; 90; 90
15562.9Pandey, Madhusudan Kumar; Sheokand, Sonu; Balakrishna, Maravanji Shivaramaiah
Synthesis and characterization of cyclodiphosphazanes embedded macrocycle tetrabromo-resorcin[4]arene-tetrakis(cyclodiphospha-zane) and its tetra-rhodium(I) complex
Dalton Transactions, 2023
1568408 CIFC26 H30 B2 Cl2 F8 N6C 1 2 115.093; 14.455; 15.759
90; 108.451; 90
3261Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
On pyridine chloronium cations
Chemical Science, 2023, 14, 2325-2329
1568756 CIFC16.19 H20.19 Cl1.59 O5.5C 1 2 134.102; 14.485; 6.6087
90; 94.96; 90
3252.3Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.
Total synthesis of (-)-scabrolide A and (-)-yonarolide.
Chemical science, 2023, 14, 4745-4758
1568957 CIFC11 H24 Cu10 I8 N4 O4.33 S4C 1 2 17.373; 12.555; 12.999
90; 95.859; 90
1197Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish
Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.
Chemical science, 2023, 14, 5593-5601
1568996 CIFC18 H25 O2.5C 1 2 117.9138; 6.1604; 15.2956
90; 106.418; 90
1619.14Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min
Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.
Chemical science, 2023, 14, 5699-5704
1569001 CIFC38 H52 O4C 1 2 125.3714; 6.05801; 23.3168
90; 112.787; 90
3304.09Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min
Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.
Chemical science, 2023, 14, 5699-5704
1569019 CIFC5 H8 Br2 N2 O6C 1 2 114.8421; 6.7381; 12.6407
90; 120.534; 90
1088.86Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.
Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.
Chemical science, 2023, 14, 7044-7056
1569027 CIFC5 H8 Cl2 N2 O6C 1 2 114.7924; 6.6138; 12.57
90; 121.68; 90
1046.5Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.
Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.
Chemical science, 2023, 14, 7044-7056
1569084 CIFC51 H82 O46.5C 1 2 119.1245; 24.418; 15.6004
90; 109.5; 90
6867.2Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej
17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization
Molecules, 2023, 28, 3747
1569323 CIFC26 H38 O4C 1 2 150.1; 6.67; 12.67
90; 98.52; 90
4187Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.
A heterologous expression platform in <i>Aspergillus nidulans</i> for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the <i>Aspergillus fumigatus</i> sartorypyrone biosynthetic pathway.
Chemical science, 2023, 14, 11022-11032
1569744 CIFC64 H72 Ag2 B2 F8 N8 O12C 1 2 135.3671; 7.1383; 28.5374
90; 98.983; 90
7116.2An, Shuguo; Hao, Aiyou; Xing, Pengyao
Supramolecular axial chirality in [N-I-N]<sup>+</sup>-type halogen bonded dimers.
Chemical science, 2023, 14, 10194-10202
1569845 CIFC16 H36 Br O4 PC 1 2 122.679; 5.6876; 8.1653
90; 99.864; 90
1037.66Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.
Room temperature ionic liquids with two symmetric ions.
Chemical science, 2023, 14, 10340-10346
1569904 CIFC58 H44 N2 O8 S2C 1 2 132.1431; 7.189; 11.8007
90; 98.963; 90
2693.57Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun
Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.
Chemical science, 2023, 14, 10867-10874
1570272 CIFC12 H12 Cl3 N8 O4 RuC 1 2 17.1985; 12.3419; 11.5711
90; 103.281; 90
1000.52Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José
Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.
Molecules (Basel, Switzerland), 2023, 28, 7213
7062082 CIFC24 H18 Cl2 N2 O2 S2 ZnC 1 2 122.809; 4.548; 13.993
90; 127.01; 90
1159.1Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis
Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies
New Journal of Chemistry, 2023, 47, 635-652
7062253 CIFC26 H28 Cl2 N4 O2 Ru S2C 1 2 116.0714; 10.2764; 8.3434
90; 95.284; 90
1372.11Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh
N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties
New Journal of Chemistry, 2023, 47, 3492-3501
7062284 CIFC52 H64 B Cl2 Cu F4 N6 P2C 1 2 111.4909; 20.7682; 12.5771
90; 115.248; 90
2714.7Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions
New Journal of Chemistry, 2023, 47, 5930-5938
7131112 CIFC84 H126 Eu2 N4 O26 Ti4C 1 2 126.7869; 15.6539; 14.6425
90; 125.081; 90
5024.5Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian
Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.
Chemical communications (Cambridge, England), 2023, 59, 346-349
7131113 CIFC84 H126 Eu2 N4 O26 Ti4C 1 2 126.861; 15.6451; 14.6838
90; 125.433; 90
5027.9Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian
Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.
Chemical communications (Cambridge, England), 2023, 59, 346-349
7131575 CIFC20 H23 N3 O8C 1 2 121.0745; 12.0391; 9.3014
90; 107.027; 90
2256.49Mo, Nan-Nan; Miao, Yu-Hang; Xiao, Xiao; Hua, Yuan-Zhao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian
Catalytic asymmetric <i>de novo</i> construction of 4-pyrrolin-2-ones <i>via</i> intermolecular formal [3+2] cycloaddition of azoalkenes with azlactones.
Chemical communications (Cambridge, England), 2023, 59, 5902-5905
7131582 CIFC16 H20 F3 N3 O4C 1 2 116.38; 6.0768; 18.447
90; 93.389; 90
1833Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta
Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.
Chemical communications (Cambridge, England), 2023, 59, 6080-6083
7131780 CIFC17 H12 O2C 1 2 117.755; 5.479; 6.556
90; 103.98; 90
618.9Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo
Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.
Chemical communications (Cambridge, England), 2023
7131781 CIFC17 H12 O2C 1 2 117.6508; 5.4506; 6.5314
90; 103.95; 90
609.84Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo
Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.
Chemical communications (Cambridge, England), 2023
7132243 CIFC20 H21 B2 F4 N5C 1 2 119.215; 8.7897; 24.398
90; 92.331; 90
4117.3Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong
Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification
Chemical Communications, 2023
7159071 CIFC32 H38 O10C 1 2 123.9849; 14.481; 12.3512
90; 117.884; 90
3791.8Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun
Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.
Organic & biomolecular chemistry, 2023, 21, 823-831
7159205 CIFC20 H27 N O4C 1 2 135.93; 5.117; 10.707
90; 92.39; 90
1967Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.
Stereoselective synthesis of backbone extended π-conjugated amino esters.
Organic & biomolecular chemistry, 2023, 21, 2586-2595
7159216 CIFC20 H34 O4C 1 2 129.0654; 6.1584; 13.8163
90; 129.016; 90
1921.5Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.
Synthesis of menarandroside A from dehydroepiandrosterone.
Organic & biomolecular chemistry, 2023, 21, 3172-3176
7159231 CIFC18 H26 N10 O14C 1 2 119.32005; 5.34244; 11.81711
90; 98.3058; 90
1206.92Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu
Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.
Organic & biomolecular chemistry, 2023, 21, 2556-2561
7159304 CIFC11 H9 Br F3 N O3C 1 2 112.3801; 5.46613; 18.0363
90; 93.6831; 90
1218.02Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji
Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.
Organic & biomolecular chemistry, 2023, 21, 4002-4006
7159384 CIFC65 H63 F N3 O6 RhC 1 2 128.851; 15.3005; 12.0037
90; 96.747; 90
5262.2Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.
Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.
Organic & biomolecular chemistry, 2023, 21, 5014-5020
7159409 CIFC17 H12 F3 N O2 SC 1 2 125.755; 6.9641; 8.7584
90; 94.153; 90
1566.8Wang, Wei; Qin, Zhaoliang; Tan, Ze; Yang, Wen
Organocatalytic enantioselective cross-aldol reaction of aryl ketones with heteroaromatic trifluoromethyl ketone hydrates for the synthesis of α-trifluoromethyl tertiary alcohols.
Organic & biomolecular chemistry, 2023, 21, 5234-5239
7159419 CIFC34 H37 N O7C 1 2 133.3058; 5.5217; 17.9538
90; 106.418; 90
3167.2Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.
Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.
Organic & biomolecular chemistry, 2023, 21, 5117-5128
7159426 CIFC20 H29 N O2 S2C 1 2 127.661; 5.945; 12.9885
90; 100.737; 90
2098.5Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada
Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.
Organic & biomolecular chemistry, 2023, 21, 5827-5839
7159437 CIFC19 H19 N5 O6C 1 2 123.66; 6.1601; 14.0178
90; 112.573; 90
1886.5Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki
Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.
Organic & biomolecular chemistry, 2023, 21, 5203-5213

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