Crystallography Open Database

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Searching journal of publication like 'ACS Omega' volume of publication is 6

COD ID: 4518477
CIF file Formula: - C21 H16 Cl F2 N3 O4 -
Comments: Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara Design and Synthesis of "Chloropicolinate Amides and Urea Derivatives" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>. ACS omega 6(2) (2021) 1657-1667
Space group: P 1 21/c 1
Cell volume: 1978
Cell parameters: 6.03; 30.28; 11.18; 90; 104.36; 90;  

COD ID: 4518478
CIF file Formula: - C20 H14 Cl F3 N4 O3 -
Comments: Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara Design and Synthesis of "Chloropicolinate Amides and Urea Derivatives" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>. ACS omega 6(2) (2021) 1657-1667
Space group: P b c a
Cell volume: 4090.8
Cell parameters: 19.05; 10.8747; 19.747; 90; 90; 90;  

COD ID: 4518479
CIF file Formula: - C8 H10 Cu N5 O4 -
Comments: Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S. SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>. ACS omega 6(2) (2021) 1266-1272
Space group: P n a 21
Cell volume: 1109.1
Cell parameters: 11.3899; 14.5663; 6.6853; 90; 90; 90;  

COD ID: 4518480
CIF file Formula: - C29 H30 N2 O12 S2 -
Comments: Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B. Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids. ACS omega 6(3) (2021) 2184-2191
Space group: P 1 21 1
Cell volume: 1412.6
Cell parameters: 12.097; 7.7388; 15.2512; 90; 98.357; 90;  

COD ID: 4518481
CIF file Formula: - H2 K3 O17 P4 V3 -
Comments: Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R. Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries. ACS omega 6(3) (2021) 1917-1929
Space group: P n n a
Cell volume: 1459.35
Cell parameters: 10.7161; 20.8498; 6.5316; 90; 90; 90;  

COD ID: 4518494
CIF file Formula: - C26 H23 Au Cl Fe2 P -
Comments: Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines ACS Omega 6(8) (2021) 5981-5989
Space group: P -1
Cell volume: 1167.9
Cell parameters: 9.13; 10.005; 13.765; 92.986; 101.29; 107.468;  

COD ID: 4518495
CIF file Formula: - C27 H23 Au Cl Fe2 O2 P -
Comments: Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines ACS Omega 6(8) (2021) 5981-5989
Space group: P -1
Cell volume: 1237.8
Cell parameters: 10.872; 11.237; 11.91; 65.276; 72.47; 73.215;  

COD ID: 4518496
CIF file Formula: - C31 H28 Au Cl4 Fe3 P -
Comments: Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines ACS Omega 6(8) (2021) 5981-5989
Space group: C 1 2/c 1
Cell volume: 6354
Cell parameters: 18.102; 14.686; 25.322; 90; 109.296; 90;  

COD ID: 4518497
CIF file Formula: - C88 H100 N12 O20 -
Comments: Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction ACS Omega 6(8) (2021) 5812-5824
Space group: C 1 2 1
Cell volume: 2144.5
Cell parameters: 19.1751; 9.6598; 13.3995; 90; 120.229; 90;  

COD ID: 4518498
CIF file Formula: - C82 H68 Cl4 N4 O8 -
Comments: Wang, Jie; Shi, Dong Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer ACS Omega 6(8) (2021) 5972-5980
Space group: P -1
Cell volume: 3528.7
Cell parameters: 15.1676; 16.5831; 17.0312; 106.676; 95.767; 116.781;  

COD ID: 4518499
CIF file Formula: - C168 H141 Cl N8 O16 -
Comments: Wang, Jie; Shi, Dong Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer ACS Omega 6(8) (2021) 5972-5980
Space group: P -1
Cell volume: 3364.1
Cell parameters: 13.1368; 16.167; 16.9132; 75.115; 85.626; 75.727;  

COD ID: 4518500
CIF file Formula: - C81 H68 N4 O8 -
Comments: Wang, Jie; Shi, Dong Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer ACS Omega 6(8) (2021) 5972-5980
Space group: P -1
Cell volume: 3284.27
Cell parameters: 13.8322; 14.8314; 17.2503; 86.082; 70.408; 80.111;  

COD ID: 4518528
CIF file Formula: - C31 H38 O8 -
Comments: Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan Linderaggrenolides A‒N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata ACS Omega 6(8) (2021) 5898-5909
Space group: P 21 21 21
Cell volume: 2796.47
Cell parameters: 8.0424; 13.88872; 25.03583; 90; 90; 90;  

COD ID: 4518529
CIF file Formula: - C33 Fe2 O8 P S2 -
Comments: Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand. ACS omega 6(6) (2021) 4192-4203
Space group: P -1
Cell volume: 1708.1
Cell parameters: 10.0138; 12.6312; 14.498; 101.619; 100.574; 101.945;  

COD ID: 4518530
CIF file Formula: - C28.5 H18.5 Fe2 N O5 P S2 -
Comments: Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand. ACS omega 6(6) (2021) 4192-4203
Space group: P -1
Cell volume: 1468.2
Cell parameters: 11.3522; 12.0516; 13.4728; 67.057; 65.881; 64.689;  

COD ID: 4518531
CIF file Formula: - C54 H52 Cl4 Co F N3 -
Comments: Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent. ACS omega 6(6) (2021) 4448-4460
Space group: P 1 21/n 1
Cell volume: 4792.7
Cell parameters: 10.1335; 29.5446; 16.6587; 90; 106.065; 90;  

COD ID: 4518532
CIF file Formula: - C50 H44 Cl2 Co F N3 -
Comments: Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent. ACS omega 6(6) (2021) 4448-4460
Space group: P 1 21/c 1
Cell volume: 4671.7
Cell parameters: 21.7565; 14.1649; 16.2888; 90; 111.466; 90;  

COD ID: 4518534
CIF file Formula: - C138 H62 O61 Sm8 -
Comments: Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions. ACS omega 6(10) (2021) 6810-6816
Space group: R -3 :H
Cell volume: 14267
Cell parameters: 38.486; 38.486; 11.122; 90; 90; 120;  

COD ID: 4518540
CIF file Formula: - Ba9 Cr4 S19 -
Comments: Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units. ACS omega 6(10) (2021) 6842-6847
Space group: C 1 2/c 1
Cell volume: 3256.16
Cell parameters: 12.7695; 11.3269; 23.2057; 90; 104.041; 90;  

COD ID: 4518551
CIF file Formula: - C38 H42 N4 O21 -
Comments: Budziak-Wieczorek, Iwona; Maciołek, Urszula Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies ACS Omega 6(12) (2021) 8199-8209
Space group: P 1
Cell volume: 956.23
Cell parameters: 7.3043; 11.8154; 12.0064; 67.444; 87.953; 88.503;  

COD ID: 4518569
CIF file Formula: - C12 H16 N6 O2 -
Comments: Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V. New Reaction Products of Acetylacetone with Semicarbazide Derivatives ACS Omega 6(12) (2021) 8637-8645
Space group: C 1 2/c 1
Cell volume: 9588.5
Cell parameters: 32.0854; 16.6338; 18.7396; 90; 106.521; 90;  

COD ID: 4518574
CIF file Formula: - C18 H24 Cl2 N4 O Ru S -
Comments: Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity ACS Omega 6(12) (2021) 8226-8238
Space group: P 21 21 21
Cell volume: 2129.9
Cell parameters: 7.5864; 12.9878; 21.6163; 90; 90; 90;  

COD ID: 4518681
CIF file Formula: - C12 H14 N Nd O8 -
Comments: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity ACS Omega 6(15) (2021) 10475-10485
Space group: P 1 21/n 1
Cell volume: 1543.7
Cell parameters: 6.1774; 22.134; 11.445; 90; 99.446; 90;  

COD ID: 4518682
CIF file Formula: - C12 H14 Gd N O8 -
Comments: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity ACS Omega 6(15) (2021) 10475-10485
Space group: P 1 21 1
Cell volume: 757.46
Cell parameters: 5.9855; 22.116; 6.1152; 90; 110.656; 90;  

COD ID: 4518683
CIF file Formula: - C12 H14 N O8 Sm -
Comments: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity ACS Omega 6(15) (2021) 10475-10485
Space group: P 1 21/n 1
Cell volume: 1547.67
Cell parameters: 6.1775; 22.1665; 11.4573; 90; 99.435; 90;  

COD ID: 4518684
CIF file Formula: - C12 H14 N O8 Pr -
Comments: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity ACS Omega 6(15) (2021) 10475-10485
Space group: P 1 21/n 1
Cell volume: 1561.6
Cell parameters: 6.2123; 22.161; 11.4967; 90; 99.387; 90;  

COD ID: 4518685
CIF file Formula: - C12 H14 Eu N O8 -
Comments: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity ACS Omega 6(15) (2021) 10475-10485
Space group: P 1 21 1
Cell volume: 758.69
Cell parameters: 5.9823; 22.145; 6.1201; 90; 110.649; 90;  

COD ID: 4518699
CIF file Formula: - C7 H7 N O6 Zn -
Comments: Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K. Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks. ACS omega 6(20) (2021) 13240-13259
Space group: P 1 21/c 1
Cell volume: 856.04
Cell parameters: 7.7081; 15.6681; 7.7483; 90; 113.824; 90;  

COD ID: 4518700
CIF file Formula: - C7 H7 Cd N O6 -
Comments: Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K. Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks. ACS omega 6(20) (2021) 13240-13259
Space group: P 1 21/c 1
Cell volume: 919.67
Cell parameters: 7.8597; 15.9234; 8.0981; 90; 114.849; 90;  

COD ID: 4518701
CIF file Formula: - C56 H48 Cu4 K4 N12 O32 -
Comments: Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K. Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks. ACS omega 6(20) (2021) 13240-13259
Space group: P n m a
Cell volume: 3566.2
Cell parameters: 21.7641; 17.4903; 9.3685; 90; 90; 90;  

COD ID: 4518727
CIF file Formula: - C26 H35 N O6 -
Comments: Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis ACS Omega 6(21) (2021) 13895-13903
Space group: P 1 21/n 1
Cell volume: 2405.35
Cell parameters: 13.3663; 10.80081; 17.0804; 90; 102.718; 90;  

COD ID: 4518733
CIF file Formula: - C28 H24 Cu N2 O4 -
Comments: Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4 ACS Omega 6(21) (2021) 13704-13718
Space group: C 1 2/c 1
Cell volume: 4733.6
Cell parameters: 24.8417; 14.2633; 17.1697; 90; 128.915; 90;  

COD ID: 4518734
CIF file Formula: - C26 H18 Cl2 Cu N2 O4 -
Comments: Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4 ACS Omega 6(21) (2021) 13704-13718
Space group: P 1 21/n 1
Cell volume: 2254.6
Cell parameters: 12.028; 14.7995; 13.5238; 90; 110.518; 90;  

COD ID: 4518771
CIF file Formula: - C19 H25 N5 O6 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: I 1 2/a 1
Cell volume: 4050.1
Cell parameters: 26.8708; 7.3323; 20.6528; 90; 95.548; 90;  

COD ID: 4518772
CIF file Formula: - C19 H25 N5 O6 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: P -1
Cell volume: 1998.79
Cell parameters: 8.2535; 14.1548; 18.1606; 100.206; 99.075; 102.165;  

COD ID: 4518773
CIF file Formula: - C18.6 H23.8 N5 O6 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: P -1
Cell volume: 2009.8
Cell parameters: 7.7392; 15.8949; 17.396; 110.066; 90.729; 90.19;  

COD ID: 4518774
CIF file Formula: - C21 H29 N5 O6 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: I 1 2/a 1
Cell volume: 4408.7
Cell parameters: 7.7446; 15.5385; 36.6455; 90; 91.337; 90;  

COD ID: 4518775
CIF file Formula: - C10 H18 O4 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: P 1 21 1
Cell volume: 513.68
Cell parameters: 5.9795; 10.4226; 8.2748; 90; 95.08; 90;  

COD ID: 4518776
CIF file Formula: - C13 H22 Cl N O3 -
Comments: Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S. The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues. ACS omega 6(19) (2021) 12769-12786
Space group: P b c a
Cell volume: 2774.15
Cell parameters: 14.0556; 8.4265; 23.4225; 90; 90; 90;  

COD ID: 4518794
CIF file Formula: - C16 H12 N4 O2 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P -1
Cell volume: 1371.8
Cell parameters: 7.8674; 10.8182; 16.305; 94.407; 91.928; 97.087;  

COD ID: 4518795
CIF file Formula: - C20 H10 Cl N5 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P 1 21/c 1
Cell volume: 1660.1
Cell parameters: 16.516; 14.1547; 7.1025; 90; 91.122; 90;  

COD ID: 4518796
CIF file Formula: - C20 H12 N6 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P 1 21/c 1
Cell volume: 1561.55
Cell parameters: 7.4315; 15.4721; 13.5859; 90; 91.551; 90;  

COD ID: 4518797
CIF file Formula: - C20 H10 Br N5 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P 1 21/c 1
Cell volume: 1693.45
Cell parameters: 16.8422; 14.1742; 7.0948; 90; 90.995; 90;  

COD ID: 4518798
CIF file Formula: - C21 H13 N5 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P n a 21
Cell volume: 1591.5
Cell parameters: 18.444; 12.6807; 6.8046; 90; 90; 90;  

COD ID: 4518799
CIF file Formula: - C21 H13 N5 O -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P 1 21/c 1
Cell volume: 1675.6
Cell parameters: 16.3529; 14.2319; 7.2576; 90; 97.256; 90;  

COD ID: 4518800
CIF file Formula: - C40 H22 N10 -
Comments: Ibrahim, Hamada Mohamed; Behbehani, Haider TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. ACS omega 6(24) (2021) 16086-16099
Space group: P -1
Cell volume: 1515.44
Cell parameters: 7.0765; 14.1844; 15.9271; 76.326; 77.458; 88.903;  

COD ID: 4518801
CIF file Formula: - C14 H37 N3 O Si2 Sr -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: P -1
Cell volume: 1103.51
Cell parameters: 9.0705; 10.4979; 12.268; 94.399; 106.772; 96.64;  

COD ID: 4518802
CIF file Formula: - C17 H43 N3 O2 Si2 Sr -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: P -1
Cell volume: 1280.8
Cell parameters: 10.027; 10.505; 12.868; 86.037; 72.8; 81.722;  

COD ID: 4518803
CIF file Formula: - C15 H39 N3 O Si2 Sr -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: P b c a
Cell volume: 4733.8
Cell parameters: 12.2155; 18.9312; 20.4702; 90; 90; 90;  

COD ID: 4518804
CIF file Formula: - C29 H61 N4 O4 Sr1.5 -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: C 1 2/c 1
Cell volume: 7221.9
Cell parameters: 18.04; 11.5817; 35.591; 90; 103.789; 90;  

COD ID: 4518805
CIF file Formula: - C39 H60 F18 N6 O9 Sr3 -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: P 1 21/c 1
Cell volume: 5750
Cell parameters: 17.582; 14.2227; 23.1741; 90; 97.147; 90;  

COD ID: 4518806
CIF file Formula: - C42 H66 F18 N6 O9 Sr3 -
Comments: Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands. ACS omega 6(24) (2021) 15948-15956
Space group: P -1
Cell volume: 2928.3
Cell parameters: 12.058; 12.438; 21.422; 93.087; 101.598; 110.133;  

COD ID: 4518818
CIF file Formula: - C156 H203 B2 F20 Fe12 N24 O40 -
Comments: De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G. Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters ACS Omega 6(25) (2021) 16661-16669
Space group: P -1
Cell volume: 5651.6
Cell parameters: 16.8193; 17.3271; 21.1897; 107.161; 99.537; 100.103;  

COD ID: 4518819
CIF file Formula: - C116 H131 B3 F18 Fe6 N13 O14 -
Comments: De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G. Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters ACS Omega 6(25) (2021) 16661-16669
Space group: P 1 21/c 1
Cell volume: 12507
Cell parameters: 17.9936; 37.0613; 20.437; 90; 113.409; 90;  

COD ID: 4519003
CIF file Formula: - C16 H14 N2 O S -
Comments: Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes. ACS omega 6(32) (2021) 21169-21180
Space group: P -1
Cell volume: 697.34
Cell parameters: 6.4476; 9.4727; 12.1525; 96.18; 92.803; 108.433;  

COD ID: 4519004
CIF file Formula: - C16 H12 N2 S -
Comments: Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes. ACS omega 6(32) (2021) 21169-21180
Space group: P -1
Cell volume: 677.68
Cell parameters: 8.1526; 9.0963; 10.4069; 106.308; 104.374; 103.637;  

COD ID: 4519005
CIF file Formula: - C48 H30 N4 O2 -
Comments: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. ACS omega 6(32) (2021) 21113-21124
Space group: P -1
Cell volume: 1751.64
Cell parameters: 10.246; 12.0419; 15.9309; 92.106; 102.831; 112.696;  

COD ID: 4519006
CIF file Formula: - C72 H50 N4 O5 -
Comments: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. ACS omega 6(32) (2021) 21113-21124
Space group: C 1 2/c 1
Cell volume: 5241.9
Cell parameters: 21.622; 14.9773; 16.9507; 90; 107.267; 90;  

COD ID: 4519007
CIF file Formula: - C58 H36 F12 N2 O10 -
Comments: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. ACS omega 6(32) (2021) 21113-21124
Space group: I 1 2/a 1
Cell volume: 5064
Cell parameters: 14.4202; 9.3653; 37.5025; 90; 90.967; 90;  

COD ID: 4519008
CIF file Formula: - C52 H34 Cl6 N2 O2 -
Comments: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. ACS omega 6(32) (2021) 21113-21124
Space group: P -1
Cell volume: 1078.97
Cell parameters: 8.6204; 9.516; 14.2523; 108.353; 100.322; 94.923;  

COD ID: 4519009
CIF file Formula: - C72 H50 Cl12 N8 O5 -
Comments: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. ACS omega 6(32) (2021) 21113-21124
Space group: P 1 21/c 1
Cell volume: 6860.3
Cell parameters: 16.6568; 27.3432; 16.0488; 90; 110.19; 90;  

COD ID: 4519010
CIF file Formula: - C22 H18 F6 Fe2 N O4 S2 -
Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146
Space group: P 1 21/m 1
Cell volume: 1234
Cell parameters: 6.9892; 9.8482; 17.931; 90; 90.995; 90;  

COD ID: 4519011
CIF file Formula: - C12 H10 F6 Fe N O4 S2 -
Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146
Space group: P 1 21 1
Cell volume: 6679.5
Cell parameters: 16.5057; 14.3305; 28.243; 90; 90.968; 90;  

COD ID: 4519012
CIF file Formula: - C32 H38 F6 Fe2 N O4 S2 -
Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146
Space group: P 21 21 21
Cell volume: 6964
Cell parameters: 14.385; 20.809; 23.264; 90; 90; 90;  

COD ID: 4519013
CIF file Formula: - C32 H38 F6 Fe2 N O4 S2 -
Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146
Space group: C m c e
Cell volume: 3601.1
Cell parameters: 10.5371; 23.5057; 14.5393; 90; 90; 90;  

COD ID: 4519014
CIF file Formula: - C22 H18 F6 Fe2 N O4 S2 -
Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146
Space group: P 1 21/n 1
Cell volume: 7081
Cell parameters: 22.883; 9.712; 32.042; 90; 96.052; 90;  

COD ID: 4519015
CIF file Formula: - C20 H16 N2 O9 Ru -
Comments: Zheng, Zhiwei; Arai, Tsuyoshi; Takao, Koichiro Complexation-Distribution Separated Solvent Extraction Process Designed for Rapid and Efficient Recovery of Inert Platinum Group Metals. ACS omega 6(33) (2021) 21809-21818
Space group: P 1 21/c 1
Cell volume: 2066.44
Cell parameters: 11.9414; 15.0754; 12.8497; 90; 116.707; 90;  

COD ID: 4519016
CIF file Formula: - C74 H70 F42 N4 O12 Sm2 -
Comments: Ganaie, Aabid Bashir; Iftikhar, Khalid Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites. ACS omega 6(33) (2021) 21207-21226
Space group: P -1
Cell volume: 4606
Cell parameters: 12.384; 19.821; 19.834; 103.858; 90.682; 102.42;  

COD ID: 4519071
CIF file Formula: - C31 H23 Cu2 N3 O13 P2 -
Comments: Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene. ACS omega 6(36) (2021) 23110-23116
Space group: P -3 c 1
Cell volume: 14549.7
Cell parameters: 18.3668; 18.3668; 49.803; 90; 90; 120;  

COD ID: 4519072
CIF file Formula: - C62 H40 Cu3 N7 O24 P3 -
Comments: Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene. ACS omega 6(36) (2021) 23110-23116
Space group: C 1 2/c 1
Cell volume: 9275.7
Cell parameters: 16.652; 33.684; 16.5376; 90; 90.498; 90;  

COD ID: 4519073
CIF file Formula: - C40 H50 F6 Fe N7 O Sb -
Comments: Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands ACS Omega 6(38) (2021) 24777-24787
Space group: P -1
Cell volume: 1986.6
Cell parameters: 10.5327; 13.9466; 15.712; 63.727; 74.453; 78.923;  

COD ID: 4519074
CIF file Formula: - C44 H56 F6 Fe N8 Sb -
Comments: Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands ACS Omega 6(38) (2021) 24777-24787
Space group: P -1
Cell volume: 1095.1
Cell parameters: 9.9783; 10.928; 11.3674; 75.369; 88.574; 66.4191;  

COD ID: 4519075
CIF file Formula: - C40 H50 F6 Fe N6 Sb -
Comments: Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands ACS Omega 6(38) (2021) 24777-24787
Space group: P -1
Cell volume: 1976.1
Cell parameters: 11.502; 13.713; 13.952; 66.47; 82.509; 78.86;  

COD ID: 4519076
CIF file Formula: - C22 H48 N4 O6 Ta -
Comments: Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo New Volatile Tantalum Imido Precursors with Carboxamide Ligands ACS Omega 6(38) (2021) 24795-24802
Space group: P n m a
Cell volume: 2950.76
Cell parameters: 16.2677; 16.0705; 11.287; 90; 90; 90;  

COD ID: 4519077
CIF file Formula: - C25 H50 N4 O6 Ta -
Comments: Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo New Volatile Tantalum Imido Precursors with Carboxamide Ligands ACS Omega 6(38) (2021) 24795-24802
Space group: P 1 21/n 1
Cell volume: 3244.36
Cell parameters: 11.4733; 16.5773; 17.1424; 90; 95.6888; 90;  

COD ID: 4519078
CIF file Formula: - C42 H84 N6 O14 Ta2 -
Comments: Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo New Volatile Tantalum Imido Precursors with Carboxamide Ligands ACS Omega 6(38) (2021) 24795-24802
Space group: C 1 2/c 1
Cell volume: 5888.2
Cell parameters: 24.089; 13.5356; 18.7495; 90; 105.603; 90;  

COD ID: 4519079
CIF file Formula: - C22 H24 O2 S3 -
Comments: Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses ACS Omega 6(38) (2021) 24973-24980
Space group: P 1 21/c 1
Cell volume: 2075.2
Cell parameters: 5.9104; 11.2158; 31.305; 90; 90.21; 90;  

COD ID: 4519102
CIF file Formula: - C40 H32 Br4 N4 O12 -
Comments: Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one. ACS omega 6(41) (2021) 27466-27477
Space group: P n m a
Cell volume: 1028.8
Cell parameters: 11.0125; 6.523; 14.3222; 90; 90; 90;  

COD ID: 4519103
CIF file Formula: - C40 H28 Br8 Cl4 O4 -
Comments: Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one. ACS omega 6(41) (2021) 27466-27477
Space group: P n m a
Cell volume: 1131.5
Cell parameters: 19.939; 7.058; 8.04; 90; 90; 90;  

COD ID: 4519104
CIF file Formula: - C19 H20 O4 -
Comments: Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst. ACS omega 6(41) (2021) 27279-27287
Space group: P -1
Cell volume: 804.66
Cell parameters: 7.7137; 9.9031; 10.9047; 92.5; 94.608; 103.797;  

COD ID: 4519105
CIF file Formula: - C11 H30 Ca Cl2 N2 O8 -
Comments: Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst. ACS omega 6(41) (2021) 27279-27287
Space group: P c a 21
Cell volume: 1870.7
Cell parameters: 15.779; 8.8435; 13.4059; 90; 90; 90;  

COD ID: 4519106
CIF file Formula: - C23 H24 O8 -
Comments: Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst. ACS omega 6(41) (2021) 27279-27287
Space group: C 1 2/c 1
Cell volume: 2061.5
Cell parameters: 29.327; 5.869; 12.6542; 90; 108.828; 90;  

COD ID: 4519107
CIF file Formula: - Ag2 H24 I4 K6 O32 -
Comments: Spina, Carla J.; Notarandrea-Alfonzo, Johanny E; Guerra, Elizabeth D.; Goodall, Carlie; Bohle, D. Scott; Precht, Rod Synthesis and Structural and Spectroscopic Studies of a pH-Neutral Argentic Chelate Complex: Tribasic Silver (III) Bisperiodate. ACS omega 6(41) (2021) 27017-27025
Space group: C 1 2/c 1
Cell volume: 1494.59
Cell parameters: 20.3394; 7.8242; 9.5561; 90; 100.644; 90;  

COD ID: 4519108
CIF file Formula: - C19 H17 N O4 -
Comments: Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines. ACS omega 6(41) (2021) 27062-27069
Space group: C 1 2/c 1
Cell volume: 3022.3
Cell parameters: 21.358; 7.2946; 22.017; 90; 118.225; 90;  

COD ID: 4519109
CIF file Formula: - C16.62 H7.25 Cl1.25 O11 Os3 S -
Comments: Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies ACS Omega 6(43) (2021) 29045-29053
Space group: P -1
Cell volume: 2486.6
Cell parameters: 8.4267; 14.1473; 21.5478; 89.327; 87.798; 75.631;  

COD ID: 4519110
CIF file Formula: - C57.8 H26.2 B3 O33 Os9 S3 -
Comments: Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies ACS Omega 6(43) (2021) 29045-29053
Space group: P -1
Cell volume: 3810.9
Cell parameters: 9.0414; 20.8788; 22.4877; 65.347; 86.861; 81.045;  

COD ID: 4519111
CIF file Formula: - C18 H8 Cl2 O12 Os3 S -
Comments: Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies ACS Omega 6(43) (2021) 29045-29053
Space group: P -1
Cell volume: 1240.01
Cell parameters: 8.4854; 12.0178; 12.884; 81.639; 77.714; 76.102;  

COD ID: 4519112
CIF file Formula: - C20 H15 Cl O4 -
Comments: Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives. ACS omega 6(42) (2021) 28441-28454
Space group: P 1 21/n 1
Cell volume: 1662.3
Cell parameters: 10.601; 7.695; 20.43; 90; 94.097; 90;  

COD ID: 4519113
CIF file Formula: - C10 H22 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: P b c a
Cell volume: 3448.2
Cell parameters: 15.2336; 16.3399; 13.8528; 90; 90; 90;  

COD ID: 4519114
CIF file Formula: - C20 H42 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: I 1 2/a 1
Cell volume: 2848.48
Cell parameters: 15.6601; 8.15454; 23.5223; 90; 108.507; 90;  

COD ID: 4519115
CIF file Formula: - C16 H34 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: P 1 21/c 1
Cell volume: 2427.32
Cell parameters: 12.5433; 21.2751; 9.3308; 90; 102.885; 90;  

COD ID: 4519116
CIF file Formula: - C12 H26 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: C 1 2/c 1
Cell volume: 1916.2
Cell parameters: 20.8959; 8.0893; 15.3732; 90; 132.491; 90;  

COD ID: 4519117
CIF file Formula: - C18 H38 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: P -1
Cell volume: 1296.59
Cell parameters: 7.5898; 11.8599; 16.0804; 70.704; 78.932; 72.591;  

COD ID: 4519118
CIF file Formula: - C14 H30 Mn N2 O2 S4 -
Comments: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J. Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes. ACS omega 6(42) (2021) 27716-27725
Space group: P 1 21/c 1
Cell volume: 2090.9
Cell parameters: 11.8338; 11.9042; 15.5003; 90; 106.751; 90;  

COD ID: 4519119
CIF file Formula: - C27 H31 N5 O4 -
Comments: Mondal, Surajit; Dey, Swapan Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd<sup>2+</sup> Ions: A Complete Photophysical Analysis and Bio-Imaging Study. ACS omega 6(42) (2021) 27936-27945
Space group: P 1 21/c 1
Cell volume: 2630
Cell parameters: 19.517; 14.714; 9.4101; 90; 103.29; 90;  

COD ID: 4519120
CIF file Formula: - F6 H4 Ir Na2 O2 -
Comments: Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials. ACS omega 6(42) (2021) 27697-27701
Space group: C 1 2/m 1
Cell volume: 334.5
Cell parameters: 6.6328; 10.074; 5.9283; 90; 122.388; 90;  

COD ID: 4519121
CIF file Formula: - F6 H4 Ir Na3 O2 -
Comments: Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials. ACS omega 6(42) (2021) 27697-27701
Space group: R -3 :H
Cell volume: 490.01
Cell parameters: 7.5963; 7.5963; 9.8056; 90; 90; 120;  

COD ID: 4519122
CIF file Formula: - C48 H42 Cl N O5 P2 Pt S -
Comments: Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M. Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films. ACS omega 6(42) (2021) 28316-28325
Space group: P -1
Cell volume: 2135.4
Cell parameters: 12.2464; 12.8292; 15.963; 70.103; 86.552; 65.453;  

COD ID: 4519182
CIF file Formula: - C16 H14 N2 O3 S -
Comments: Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S. Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives. ACS omega 6(46) (2021) 31211-31225
Space group: P 21 21 21
Cell volume: 3010.5
Cell parameters: 8.219; 10.4446; 35.069; 90; 90; 90;  

COD ID: 4519183
CIF file Formula: - C16 H20 N2 O3 S -
Comments: Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S. Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives. ACS omega 6(46) (2021) 31211-31225
Space group: P -1
Cell volume: 801.5
Cell parameters: 5.9027; 10.2604; 14.288; 108.124; 97.581; 97.514;  

COD ID: 4519184
CIF file Formula: - C26 H24 F10 N O4 P S2 -
Comments: O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids ACS Omega 6(47) (2021) 32285-32296
Space group: P -1
Cell volume: 1491.5
Cell parameters: 9.4948; 10.1971; 15.507; 85.995; 84.791; 89.282;  

COD ID: 4519185
CIF file Formula: - C24 H24 F6 N O4 P S2 -
Comments: O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids ACS Omega 6(47) (2021) 32285-32296
Space group: P n a 21
Cell volume: 2817.43
Cell parameters: 16.2282; 19.4802; 8.9123; 90; 90; 90;  

COD ID: 4519186
CIF file Formula: - C22 H24 F2 N O4 P S2 -
Comments: O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids ACS Omega 6(47) (2021) 32285-32296
Space group: P 1 21/n 1
Cell volume: 4677.6
Cell parameters: 14.7187; 17.5538; 18.1439; 90; 93.788; 90;  

COD ID: 4519187
CIF file Formula: - C25 H24 F6 N O4 P S2 -
Comments: O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids ACS Omega 6(47) (2021) 32285-32296
Space group: P c a 21
Cell volume: 5401.4
Cell parameters: 17.6631; 15.9667; 19.1524; 90; 90; 90;  

COD ID: 4519188
CIF file Formula: - C16 H26 Fe2 N2 O10 -
Comments: Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound ACS Omega 6(47) (2021) 31907-31918
Space group: C 1 2/c 1
Cell volume: 4532
Cell parameters: 25.893; 12.764; 18.52; 90; 132.228; 90;  

COD ID: 4519189
CIF file Formula: - C16 H28 Fe2 N2 O11 -
Comments: Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound ACS Omega 6(47) (2021) 31907-31918
Space group: P -1
Cell volume: 1107.9
Cell parameters: 9.0333; 10.5505; 12.4384; 70.784; 88.387; 81.848;  

COD ID: 4519252
CIF file Formula: - C20 H14 F6 N2 O6 -
Comments: Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations ACS Omega 6(51) (2021) 35649-35656
Space group: P -1
Cell volume: 1077.74
Cell parameters: 10.344; 10.419; 10.58; 92.229; 102.919; 103.078;  

COD ID: 4519253
CIF file Formula: - C15 H15 N3 O4 -
Comments: Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations ACS Omega 6(51) (2021) 35649-35656
Space group: P 1 21/n 1
Cell volume: 687.35
Cell parameters: 13.2786; 3.7845; 14.135; 90; 104.613; 90;  

COD ID: 4519254
CIF file Formula: - C18 H12 F6 N4 O6 -
Comments: Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations ACS Omega 6(51) (2021) 35649-35656
Space group: P 1 21/n 1
Cell volume: 1915.25
Cell parameters: 8.5863; 11.2015; 20.1697; 90; 99.146; 90;  

COD ID: 4519255
CIF file Formula: - C48 H44 O2 -
Comments: Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes ACS Omega 6(51) (2021) 35852-35865
Space group: P 1 21/c 1
Cell volume: 3494
Cell parameters: 23.34; 9.228; 16.238; 90; 92.475; 90;  

COD ID: 4519256
CIF file Formula: - C10.5 H19 Cl1.5 N0.5 Sn0.5 -
Comments: Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography ACS Omega 6(51) (2021) 35433-35441
Space group: P 1 21/c 1
Cell volume: 2434.79
Cell parameters: 27.6855; 9.629; 9.1455; 90; 92.959; 90;  

COD ID: 4519257
CIF file Formula: - C20 H30 Ir2 Na3.5 O89 Sb2 W20 -
Comments: Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>). ACS omega 6(50) (2021) 34494-34500
Space group: P -1
Cell volume: 6756.7
Cell parameters: 17.1405; 19.507; 23.73; 103.028; 100.372; 113.516;  

COD ID: 4519258
CIF file Formula: - C20 H30 Bi2 Ir2 Na5 O87 W20 -
Comments: Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>). ACS omega 6(50) (2021) 34494-34500
Space group: P -1
Cell volume: 6752.6
Cell parameters: 17.1496; 19.521; 23.72; 103.05; 99.932; 113.932;  

COD ID: 4519259
CIF file Formula: - C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -
Comments: Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>). ACS omega 6(50) (2021) 34494-34500
Space group: P -1
Cell volume: 3273.5
Cell parameters: 13.6825; 13.7623; 18.3248; 72.603; 83.896; 89.231;  

COD ID: 4519260
CIF file Formula: - C20 H30 Bi2 K Na4 O94 Rh2 W20 -
Comments: Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>). ACS omega 6(50) (2021) 34494-34500
Space group: P -1
Cell volume: 3255.1
Cell parameters: 13.6643; 13.761; 18.2754; 72.177; 84.281; 88.693;  


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