Crystallography Open Database
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Searching journal of publication like 'ACS Omega'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4516111 | CIF | C22 H29 Cu5 I7 N5 | P 1 21/c 1 | 14.1523; 10.6793; 25.264 90; 104.984; 90 | 3688.5 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
4516112 | CIF | C21 H33.5 Cu5 I7 N2.5 O2 | C 1 2/c 1 | 36.7069; 10.6697; 24.9824 90; 129.192; 90 | 7583.2 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
4516113 | CIF | C34 H28 Br2 Cl N3 Pd | P -1 | 9.14864; 11.5032; 15.6073 72.6495; 81.6726; 72.6336 | 1493.48 | Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A. Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis. ACS omega, 2018, 3, 15217-15228 |
4516114 | CIF | C48 H40 Co F12 N8 O8 P2 | I 41/a :2 | 12.8106; 12.8106; 30.5131 90; 90; 90 | 5007.5 | Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes. ACS omega, 2018, 3, 16021-16027 |
4516115 | CIF | C35 H30 Cl2 Co F12 N6 O4 P2 | C 1 2/c 1 | 28.0797; 13.4393; 25.3112 90; 103.746; 90 | 9278.2 | Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes. ACS omega, 2018, 3, 16021-16027 |
4516116 | CIF | C22 H18 Mn N4 O10 | P b c a | 7.5725; 11.9171; 24.932 90; 90; 90 | 2249.9 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
4516117 | CIF | C22 H18 Co N4 O10 | P b c a | 7.4271; 11.953; 24.759 90; 90; 90 | 2198 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
4516118 | CIF | C55 H47 Co2 N10 O10 | P 1 21/n 1 | 10.0616; 10.8559; 26.2066 90; 97.322; 90 | 2839.1 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
4516119 | CIF | C30 H27 N O | P -1 | 8.9867; 9.0117; 14.865 99.135; 106.863; 90.159 | 1136 | Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination. ACS omega, 2018, 3, 14671-14679 |
4516120 | CIF | C16 H14 Cl N O2 | P 21 21 21 | 4.6994; 11.1712; 25.7495 90; 90; 90 | 1351.8 | Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination. ACS omega, 2018, 3, 14671-14679 |
4516121 | CIF | C55 H54 B Br Cl9 F4 N5 O9 P2 Pd | P 1 | 14.1735; 14.6182; 17.4983 110.609; 92.046; 100.845 | 3312.32 | Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity. ACS omega, 2018, 3, 15653-15656 |
4516122 | CIF | C15 H12 N2 | C 1 2/c 1 | 16.9414; 17.1524; 17.6605 90; 109.597; 90 | 4834.6 | Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D. Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles. ACS omega, 2018, 3, 15566-15574 |
4516123 | CIF | C22 H18 N2 O3 | P b c a | 15.6529; 9.5364; 23.3615 90; 90; 90 | 3487.2 | Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones. ACS omega, 2018, 3, 14575-14584 |
4516124 | CIF | C21 H16 N2 O2 | P b c a | 16.3607; 8.454; 22.5078 90; 90; 90 | 3113.13 | Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones. ACS omega, 2018, 3, 14575-14584 |
4516125 | CIF | C39 H21 Fe N8 O2 Sn | P 1 21/c 1 | 13.9836; 20.8953; 11.0131 90; 103.717; 90 | 3126.16 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516126 | CIF | C39 H21 Fe N8 O2 Sn | P -1 | 11.7126; 11.7544; 12.9014 108.604; 101.649; 105.849 | 1535.85 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516127 | CIF | C47 H33 Cl Fe N8 O2 Sn | P -1 | 10.3737; 11.6856; 16.95 90.491; 91.962; 98.758 | 2029.38 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516128 | CIF | C72 H47 Cl4 Fe N8 O2 Sn | P -1 | 11.6681; 16.5135; 16.9193 66.775; 86.024; 79.263 | 2943.4 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516129 | CIF | C51 H33 Fe N4 O2 Sn | P -1 | 11.2634; 11.312; 14.9929 90.824; 91.078; 97.186 | 1894.66 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516130 | CIF | C39 H21 Fe In N8 O2 | P 1 21/c 1 | 13.977; 21.1365; 11.0927 90; 105.033; 90 | 3164.91 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
4516131 | CIF | C32 H63 Cl3 Cu2 N11 O12.5 | P b c n | 24.6695; 18.6531; 20.3858 90; 90; 90 | 9380.8 | Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex. ACS omega, 2018, 3, 15692-15701 |
4516132 | CIF | C23 H18 N6 | P n a 21 | 12.7702; 28.911; 5.2268 90; 90; 90 | 1929.7 | Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent. ACS omega, 2018, 3, 16134-16142 |
4516133 | CIF | C24 H14 N2 O | P 1 21/c 1 | 15.833; 6.44809; 15.5345 90; 90.5223; 90 | 1585.89 | Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions. ACS omega, 2018, 3, 16387-16397 |
4516134 | CIF | C28 H26 N2 O3 S2 | P 1 21/n 1 | 13.7747; 8.1613; 22.0303 90; 102.249; 90 | 2420.25 | Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions. ACS omega, 2018, 3, 16387-16397 |
4516135 | CIF | C34 H32 Cl2 Cu2 N6 P2 | P 1 21/n 1 | 13.4961; 7.3977; 17.2981 90; 108.456; 90 | 1638.22 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516136 | CIF | C17 H16 Br Cu N3 P | P 1 21/n 1 | 13.4532; 7.4445; 17.5935 90; 106.285; 90 | 1691.34 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516137 | CIF | C38 H38 Cu4 I4 N8 P2 | P -1 | 9.636; 10.2333; 12.8232 69.01; 81.979; 71.386 | 1118.36 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516138 | CIF | C36 H32 Ag2 F6 N6 O6 P2 S2 | P 21 21 21 | 9.3162; 18.1124; 23.9326 90; 90; 90 | 4038.4 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516139 | CIF | C34 H32 Ag2 B2 F8 N6 P2 | P -1 | 9.3737; 10.3726; 11.0196 108.252; 102.115; 110.351 | 890.77 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516140 | CIF | C17 H16 Au Cl N3 P | P 1 21/c 1 | 19.4767; 8.5915; 20.9829 90; 96.19; 90 | 3490.7 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
4516141 | CIF | C32 H48 Bi2 Br10 N4 | P 1 21 1 | 11.9962; 14.6765; 13.8899 90; 93.394; 90 | 2441.2 | Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min [((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations. ACS omega, 2018, 3, 17895-17903 |
4516142 | CIF | C32 H48 Bi2 Br10 N4 | P 1 21 1 | 11.997; 14.728; 13.94 90; 93.44; 90 | 2458.6 | Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min [((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations. ACS omega, 2018, 3, 17895-17903 |
4516143 | CIF | C22 H13 F2 I O2 S | P 1 21/n 1 | 15.127; 9.2725; 15.5544 90; 109.256; 90 | 2059.7 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
4516144 | CIF | C22 H17 I O3 S | P n a 21 | 17.286; 8.3835; 14.2909 90; 90; 90 | 2071 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
4516145 | CIF | C17 H16 Br I O3 S | P -1 | 8.3914; 10.1833; 11.436 66.578; 82.676; 85.465 | 888.96 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
4516146 | CIF | C11 H16 N O13 P Pb2 S | P -1 | 8.9059; 10.388; 11.1079 64.715; 88.475; 80.124 | 914.16 | Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion. ACS omega, 2018, 3, 16443-16452 |
4516147 | CIF | C17 H28 N2 O16 P2 Pb3 S | P -1 | 9.4266; 12.5779; 13.2779 100.972; 90.825; 104.333 | 1494.3 | Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion. ACS omega, 2018, 3, 16443-16452 |
4516148 | CIF | C28 H32 F N O2 S | P 1 21 1 | 10.19; 6.636; 18.242 90; 104.79; 90 | 1192.7 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
4516149 | CIF | C26 H28 F N O S | P 21 21 21 | 7.212; 8.116; 36.696 90; 90; 90 | 2147.9 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
4516150 | CIF | C26 H28 Br N O S | P 21 21 21 | 9.5976; 37.906; 55.277 90; 90; 90 | 20110 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
4516151 | CIF | C26 H28 F N O S | P 1 21 1 | 9.603; 7.0203; 15.771 90; 93.616; 90 | 1061.1 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
4516152 | CIF | C22 H21 N O2 S | P 1 21/n 1 | 11.8883; 7.4114; 20.6224 90; 95.281; 90 | 1809.31 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
4516153 | CIF | C28 H33 N3 O4 S | P 1 21/c 1 | 15.959; 8.47; 21.482 90; 108.034; 90 | 2761.1 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
4516154 | CIF | C26 H32 N3 O4 S | P -1 | 11.08; 11.755; 11.961 63.18; 66.29; 71.29 | 1254 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
4516155 | CIF | C21 H17 Cl2 N O2 | P 1 21/c 1 | 16.4194; 10.6606; 11.1508 90; 107.03; 90 | 1866.26 | Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives. ACS omega, 2018, 3, 18343-18360 |
4516156 | CIF | C12 H28 I3 P Pb | P 1 21 1 | 16.077; 16.3313; 16.9952 90; 107.066; 90 | 4265.7 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
4516157 | CIF | C40 H39 I6 N P2 Pb2 | C 1 2/c 1 | 24.56; 13.0686; 16.1499 90; 110.037; 90 | 4869.8 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
4516158 | CIF | C8 H22 I6 P2 Pb2 | C 1 2/m 1 | 15.3593; 11.1506; 7.9441 90; 100.889; 90 | 1336.05 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
4516159 | CIF | C4 H12 I P | P 4/n m m :2 | 8.1978; 8.1978; 6.0037 90; 90; 90 | 403.47 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
4516160 | CIF | C4 H12 I3 P Pb | P 65 | 10.0382; 10.0382; 23.738 90; 90; 120 | 2071.5 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
4516161 | CIF | C27 H20 Br N3 O3 | P 1 21/n 1 | 16.097; 9.1111; 17.2334 90; 114.177; 90 | 2305.8 | Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells ACS Omega, 2018, 3, 18646 |
4516162 | CIF | C24 H18 B2 F8 N18 Ni | I a -3 d | 18.4872; 18.4872; 18.4872 90; 90; 90 | 6318.5 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
4516163 | CIF | C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 | P -1 | 12.3764; 16.8545; 21.0272 107.562; 91.665; 106.956 | 3966.9 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
4516164 | CIF | C26 H20 B2 F8 Fe N16 | F d d d :2 | 17.8353; 25.3177; 27.4906 90; 90; 90 | 12413.3 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
4516165 | CIF | C26.9 H23.2 Cl2 Fe N16.9 O9.93 | P 1 21/n 1 | 15.2393; 31.6772; 15.9371 90; 111.945; 90 | 7136.01 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
4516166 | CIF | C32 H30 N2 | C 1 2/c 1 | 34.0363; 7.9956; 18.5251 90; 97.374; 90 | 4999.7 | Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A. Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone. ACS omega, 2018, 3, 16858-16865 |
4516167 | CIF | C8 H4 F3 N3 S2 | P -1 | 7.62509; 8.44847; 15.92585 104.231; 94.45; 103.15 | 958.65 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
4516168 | CIF | C8 H4 F3 N5 S3 | C 1 2/c 1 | 22.90772; 4.66989; 22.2724 90; 106.678; 90 | 2282.39 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
4516169 | CIF | C33 H29 N O5 S | P 1 21 1 | 10.4125; 7.9214; 17.1706 90; 100.71; 90 | 1391.59 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
4516170 | CIF | C48 H38 N2 O6 S2 | P 61 | 11.977; 11.977; 47.127 90; 90; 120 | 5854.6 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
4516171 | CIF | C23 H13 N O3 | P 21 21 21 | 6.2228; 16.253; 17.111 90; 90; 90 | 1730.6 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516172 | CIF | C16 H12 O | P 1 21/c 1 | 13.4246; 5.6336; 7.7042 90; 90.883; 90 | 582.59 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516173 | CIF | C21 H13 N O2 | P b c a | 7.353; 13.0226; 32.757 90; 90; 90 | 3136.7 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516174 | CIF | C19 H11 N O2 | P 1 c 1 | 5.843; 3.9026; 30.318 90; 94.535; 90 | 689.17 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516175 | CIF | C20 H14 O2 | P n a 21 | 11.0189; 5.6659; 46.0573 90; 90; 90 | 2875.45 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516176 | CIF | C17 H11 N O | P 1 n 1 | 3.8218; 5.7496; 27.25 90; 93.862; 90 | 597.43 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516177 | CIF | C18 H12 O2 | P 1 21 1 | 6.4009; 7.3211; 13.9114 90; 100.161; 90 | 641.69 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
4516178 | CIF | C13 H24 N O23 P Tb2 | P 1 21/n 1 | 11.4973; 14.4173; 15.8364 90; 109.373; 90 | 2476.4 | Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules. ACS omega, 2018, 3, 16735-16742 |
4516179 | CIF | C23 H22 N6 | P 1 21/c 1 | 24.483; 4.4738; 19.705 90; 113.73; 90 | 1975.8 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
4516180 | CIF | C16 H20 N5 O3 P | P -1 | 7.4514; 10.2478; 12.0251 74.076; 89.764; 85.604 | 880.27 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
4516181 | CIF | C68 H92 N12 O20 Re4 S4 | P -1 | 13.5644; 14.7817; 23.8992 103.053; 95.08; 108.299 | 4365.7 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
4516182 | CIF | C68 H56 N8 O16 Re4 S4 | P 1 21/n 1 | 20.384; 17.0684; 21.821 90; 94.39; 90 | 7570 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
4516183 | CIF | C74 H70 N10 O18 Re4 S4 | P -1 | 14.247; 14.3139; 25.3456 79.388; 82.079; 84.365 | 5017.8 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
4516184 | CIF | C92 H92 Fe4 N12 O20 Re4 S4 | P -1 | 13.8133; 13.9339; 14.4964 71.743; 78.559; 80.466 | 2580.96 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
4516185 | CIF | C102 H96 N12 O20 Re4 S4 | P -1 | 14.9664; 17.7611; 22.4582 92.133; 101.334; 106.648 | 5580.2 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
4516186 | CIF | C40 H29 Ir N6 O2 | P 1 21/c 1 | 13.305; 21.832; 12.476 90; 101.87; 90 | 3546.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
4516187 | CIF | C80 H56 Cl2 Cu2 Ir2 N12 O4 | P -1 | 12.147; 12.958; 14.044 75.832; 67.388; 74.135 | 1938.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
4516188 | CIF | C112 H124 Ir2 N10 O4 | P 1 21 1 | 9.0272; 29.178; 18.4176 90; 99.641; 90 | 4782.6 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
4516189 | CIF | C49 H52 Ir N5 O2 | P 1 21/c 1 | 18.644; 8.9321; 25.915 90; 96.994; 90 | 4283.5 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
4516190 | CIF | C98 H104 Ir2 N10 O7 | P 1 21/c 1 | 19.025; 9.09; 25.534 90; 96.237; 90 | 4390 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
4516191 | CIF | C14 H11 Cl N2 | P 1 21/c 1 | 10.914; 11.6724; 9.8263 90; 106.975; 90 | 1197.3 | Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T. ACS omega, 2018, 3, 3513-3521 |
4516192 | CIF | Co2.44 Na9 O54 W9.56 | P 1 21/n 1 | 13.101; 17.775; 21.174 90; 93.628; 90 | 4920.9 | Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C. Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite. ACS omega, 2018, 3, 2966-2973 |
4516193 | CIF | C22 H26 N2 O | P 1 21/c 1 | 9.163; 8.368; 24.984 90; 97.39; 90 | 1900 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
4516194 | CIF | C22 H25 N3 O3 | P 1 21/c 1 | 21.333; 7.865; 11.834 90; 100.552; 90 | 1952 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
4516195 | CIF | C23 H28 N2 O3 S | P 1 21/c 1 | 23.398; 7.4277; 12.2111 90; 92.075; 90 | 2120.8 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
4516827 | CIF | C10 H6 Dy N O8 | P 1 21/c 1 | 12.921; 11.018; 8.199 90; 93.83; 90 | 1164.6 | Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Dao-Ben Field-Induced Relaxation of Magnetization in a Three-Dimensional LnMOF with the Second Bridging Ligand Squarate. ACS omega, 2016, 1, 286-292 |
4516828 | CIF | C21 H27 N5 O3 | P -1 | 9.2469; 10.8452; 11.8162 102.96; 104.714; 107.837 | 1030.64 | Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cruz-Jiménez, Alicia E; Manzano-Velázquez, Jessica C; Rojas-Lima, Susana; Jiménez-Halla, J Oscar C; Gámez-Montaño, Rocío Synthesis of 2-Tetrazolylmethyl-isoindolin-1-ones via a One-Pot Ugi-Azide/(N-Acylation/<i>exo</i>-Diels-Alder)/Dehydration Process. ACS omega, 2016, 1, 943-951 |
4516829 | CIF | C16 H16 Cl N O2 S | P 1 21/c 1 | 14.4182; 6.3712; 17.213 90; 90.972; 90 | 1581 | He, Xinwei; Zhou, Yao; Shang, Yongjia; Yang, Cheng; Zuo, Youpeng Synthesis of 2-Arylimino-6,7-dihydrobenzo[<i>d</i>][1,3]oxathiol-4(5<i>H</i>)-ones via Rh<sub>2</sub>(OAc)<sub>4</sub>-Catalyzed Reactions of Cyclic 2-Diazo-1,3-diketones with Aryl Isothiocyanates. ACS omega, 2016, 1, 1277-1283 |
4516830 | CIF | C21 H30 O3 | P 21 21 21 | 6.08329; 10.36929; 28.0962 90; 90; 90 | 1772.29 | Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates. ACS omega, 2017, 2, 337-345 |
4516831 | CIF | C23 H15 N3 O | P 21 21 21 | 5.654; 13.433; 22.786 90; 90; 90 | 1731 | Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K. Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines. ACS omega, 2017, 2, 11-19 |
4516832 | CIF | C19 H13 N3 O | P 1 21/n 1 | 11.8882; 9.102; 13.5891 90; 94.43; 90 | 1466.03 | Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K. Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines. ACS omega, 2017, 2, 11-19 |
4516833 | CIF | C20 H24 Mn4 N40 O8 | P 1 21/n 1 | 7.581; 16.404; 16.285 90; 102.321; 90 | 1978.5 | Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials. ACS omega, 2017, 2, 346-352 |
4516834 | CIF | C20 H24 N40 O8 Zn4 | P 1 21/n 1 | 7.5445; 16.0615; 16.153 90; 102.219; 90 | 1913 | Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials. ACS omega, 2017, 2, 346-352 |
4516835 | CIF | C20 H14 F6 O4 | P b c a | 9.796; 18.22; 22.12 90; 90; 90 | 3948.05 | Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes. ACS omega, 2017, 2, 1104-1115 |
4516836 | CIF | C20 H14 F6 O4 | P 1 21/c 1 | 13.957; 8.572; 17.061 90; 104.7; 90 | 1974.36 | Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes. ACS omega, 2017, 2, 1104-1115 |
4516837 | CIF | C40 H32 B Cl2 Cr F20 O4 | I -4 c 2 | 17.0405; 17.0405; 28.3198 90; 90; 90 | 8223.5 | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. ACS omega, 2017, 2, 765-773 |
4516838 | CIF | C27 H36 Cr N3 | P 1 21/n 1 | 7.0261; 28.8953; 11.939 90; 100.211; 90 | 2385.48 | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. ACS omega, 2017, 2, 765-773 |
4516839 | CIF | C59 H43 B Cl2 Cr F20 N O2 P2 | P 1 21/c 1 | 20.9402; 17.88; 17.0227 90; 113.683; 90 | 5836.7 | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. ACS omega, 2017, 2, 765-773 |
4516840 | CIF | C78.5 H55 B Cl3 Cr F20 N2 P4 | P 1 21/c 1 | 10.5859; 27.5961; 25.9776 90; 97.937; 90 | 7516.1 | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. ACS omega, 2017, 2, 765-773 |
4516841 | CIF | C32 H12 Ag B F20 N4 | P 1 21/c 1 | 10.9963; 17.015; 19.1408 90; 105.158; 90 | 3456.7 | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. ACS omega, 2017, 2, 765-773 |
4516842 | CIF | C21 H20 Cl2 N2 Ni | P 1 21/n 1 | 8.7648; 15.8313; 13.7699 90; 92.006; 90 | 1909.52 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516843 | CIF | C21 H20 Br2 N2 Ni | P 1 21/n 1 | 8.8898; 16.2357; 13.6964 90; 92.812; 90 | 1974.45 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516844 | CIF | C21 H20 I2 N2 Ni | P 1 21/n 1 | 10.6392; 13.9963; 14.0566 90; 93.891; 90 | 2088.34 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516845 | CIF | C41 H38 Cl4 N4 Ni O4 | P 1 21/c 1 | 14.9404; 14.3046; 18.9865 90; 101.592; 90 | 3975 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516846 | CIF | C41 H38 Br Cl3 N4 Ni O4 | P 1 21/c 1 | 14.9042; 14.4103; 19.0672 90; 101.68; 90 | 4010.3 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516847 | CIF | C40 H36 Cl I N4 Ni O4 | P -1 | 9.8216; 10.4129; 18.4809 86.609; 77.757; 82.462 | 1830.16 | Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N. Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands. ACS omega, 2017, 2, 2474-2481 |
4516848 | CIF | C30 H27 N3 O | P 1 21/c 1 | 6.4312; 22.8417; 15.8232 90; 95.972; 90 | 2311.81 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516849 | CIF | C19 H21 N3 O | P 1 21/c 1 | 14.5573; 8.6999; 12.7827 90; 96.586; 90 | 1608.2 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516850 | CIF | C56 H52 B2 Cu F8 N4 O4 | I 1 2/c 1 | 16.8731; 13.9085; 21.1754 90; 93.668; 90 | 4959.3 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516851 | CIF | C14 H13 N O | I 1 2/c 1 | 12.1035; 7.5373; 24.9505 90; 102.083; 90 | 2225.75 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516852 | CIF | C28 H26 N3 O | P b c a | 20.8249; 8.55531; 24.3304 90; 90; 90 | 4334.79 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516853 | CIF | C13 H11 Br2 N | P 1 21/c 1 | 7.51; 18.28; 9.683 90; 107.65; 90 | 1266.7 | Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion. ACS omega, 2017, 2, 1265-1272 |
4516854 | CIF | C13 H10 Cl N | P 1 21/c 1 | 8.818; 11.378; 11.618 90; 100.853; 90 | 1144.8 | Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion. ACS omega, 2017, 2, 1265-1272 |
4516855 | CIF | C11 H12 N2 O | P 21 21 21 | 5.5786; 7.5398; 23.223 90; 90; 90 | 976.8 | Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J. From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution. ACS omega, 2017, 2, 1392-1399 |
4516856 | CIF | C23 H24 I2 N4 O2 Pd | P 1 21/c 1 | 9.9925; 17.2375; 14.6398 90; 94.895; 90 | 2512.4 | Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J. From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution. ACS omega, 2017, 2, 1392-1399 |
4516857 | CIF | C11 H13 B F4 N2 O | P 1 21/c 1 | 5.6463; 8.2933; 26.5684 90; 93.68; 90 | 1241.54 | Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J. From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution. ACS omega, 2017, 2, 1392-1399 |
4516858 | CIF | C23 H26 I2 N4 O2 | C 1 2/c 1 | 36.0917; 5.1773; 13.821 90; 91.583; 90 | 2581.57 | Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J. From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution. ACS omega, 2017, 2, 1392-1399 |
4516859 | CIF | C17 H15 N O3 | P 21 21 21 | 7.3415; 10.2832; 17.6002 90; 90; 90 | 1328.71 | Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines. ACS omega, 2017, 2, 2706-2718 |
4516860 | CIF | C62 H88 Cu4 N8 Na3 O30 P | P b c n | 22.9275; 10.705; 30.4859 90; 90; 90 | 7482.4 | Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies. ACS omega, 2017, 2, 1535-1549 |
4516861 | CIF | C62 H92.3 As Cu4 K2 N8 O31.67 | P b c n | 23.4332; 10.3864; 30.7434 90; 90; 90 | 7482.5 | Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies. ACS omega, 2017, 2, 1535-1549 |
4516862 | CIF | C62 H90 Cl3 N8 Na O28.5 P Zn4 | I 1 2/a 1 | 32.2177; 13.35; 39.051 90; 108.074; 90 | 15967.3 | Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies. ACS omega, 2017, 2, 1535-1549 |
4516863 | CIF | C71 H62 Br4 Cl2 O3 P2 Pd2 | P 1 21/c 1 | 12.3561; 21.5867; 25.9119 90; 97.685; 90 | 6849.3 | Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations. ACS omega, 2017, 2, 1930-1937 |
4516864 | CIF | C56 H74 Al2 N2 P2 | P -1 | 10.4695; 13.2135; 20.0206 80.529; 75.371; 72.857 | 2548.6 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516865 | CIF | C32 H43 Al N P | P 1 21/c 1 | 8.86; 17.185; 18.9406 90; 96.662; 90 | 2864.41 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516866 | CIF | C44 H53 Al N P | P -1 | 9.0888; 12.6922; 18.1397 81.178; 75.876; 71.478 | 1917.6 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516867 | CIF | C48 H60 Al N P Si | P 1 21/c 1 | 22.224; 10.3811; 19.8887 90; 106.535; 90 | 4398.8 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516868 | CIF | C66 H94 Al2 N2 P2 Si2 | P 21 21 21 | 11.2201; 17.0091; 34.4339 90; 90; 90 | 6571.5 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516869 | CIF | C43 H51 Al Br N P | P 1 21/n 1 | 9.8448; 21.6758; 18.8506 90; 103.603; 90 | 3909.76 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516870 | CIF | C35 H41 Al Br N2 P | P 1 21/n 1 | 12.8768; 15.7414; 16.2486 90; 102.37; 90 | 3217.11 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516871 | CIF | C41 H56 Al N3 P | P 1 21/n 1 | 10.4534; 21.1539; 17.4007 90; 94.825; 90 | 3834.18 | Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene. ACS omega, 2017, 2, 2405-2414 |
4516872 | CIF | C16 H6 N4 O4 | P 1 21 1 | 3.7419; 8.4966; 20.448 90; 90.597; 90 | 650.08 | Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility. ACS omega, 2017, 2, 1594-1600 |
4516873 | CIF | C15 H6 Br N3 O4 | P 1 21/c 1 | 7.4784; 8.6549; 20.629 90; 94.493; 90 | 1331.1 | Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility. ACS omega, 2017, 2, 1594-1600 |
4516874 | CIF | C38 H32 B Cl2 F2 N3 O5 | P 1 21/n 1 | 10.4594; 12.3954; 26.28 90; 95.388; 90 | 3392.1 | Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. ACS omega, 2017, 2, 2568-2576 |
4516875 | CIF | C36 H28 B Cl2 F2 N3 O3 | P -1 | 10.5005; 10.9651; 14.867 90.158; 104.416; 102.641 | 1614.7 | Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. ACS omega, 2017, 2, 2568-2576 |
4516876 | CIF | C41 H36 B F2 N3 O6 | P -1 | 11.441; 12.524; 13.818 95.751; 90.47; 107.762 | 1874 | Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. ACS omega, 2017, 2, 2568-2576 |
4516877 | CIF | C39 H32 B F2 N3 O4 | P -1 | 10.8724; 12.3475; 13.0261 106.184; 98.292; 98.518 | 1628.9 | Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. ACS omega, 2017, 2, 2568-2576 |
4516878 | CIF | C24 H19 N3 O2 | P 1 21/n 1 | 14.079; 9.5407; 15.4359 90; 111.764; 90 | 1925.61 | Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines. ACS omega, 2017, 2, 2770-2777 |
4516879 | CIF | C34 H30 F2 N6 O5 | P 1 21/c 1 | 11.975; 6.8162; 18.711 90; 98.345; 90 | 1511.1 | Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines. ACS omega, 2017, 2, 2770-2777 |
4516880 | CIF | C17 H26 N2 O3 | P 21 21 21 | 5.0999; 15.0074; 23.3654 90; 90; 90 | 1788.3 | de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W. Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives. ACS omega, 2017, 2, 2967-2976 |
4516881 | CIF | C30 H50 N6 O29 P6 Ru | P -1 | 11.5528; 12.6752; 20.7463 97.0831; 96.7463; 117.036 | 2633.08 | Furugori, Sogo; Kobayashi, Atsushi; Watanabe, Ayako; Yoshida, Masaki; Kato, Masako Impact of Photosensitizing Multilayered Structure on Ruthenium(II)-Dye-Sensitized TiO<sub>2</sub>-Nanoparticle Photocatalysts. ACS omega, 2017, 2, 3901-3912 |
4516882 | CIF | C34 H34 N4 O2 | R -3 :H | 33.259; 33.259; 15.5227 90; 90; 120 | 14870 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516883 | CIF | C22 H16 N2 O2 | P c a 21 | 22.72; 8.2209; 17.0117 90; 90; 90 | 3177.4 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516884 | CIF | C23 H20 N2 O2 | P 1 21/c 1 | 9.266; 15.0394; 13.5414 90; 104.785; 90 | 1824.6 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516885 | CIF | C23 H20 N2 O4 | R -3 :H | 42.788; 42.788; 7.4202 90; 90; 120 | 11765 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516886 | CIF | C23 H20 N2 O3 | P -1 | 7.4731; 9.404; 14.367 93.623; 100.659; 111.227 | 915.54 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516887 | CIF | C34 H32 N4 O2 | C 1 2/c 1 | 18.3177; 11.2752; 26.814 90; 100.871; 90 | 5438.7 | Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega, 2017, 2, 3055-3063 |
4516888 | CIF | C26 H22 Cl2 N2 O | P 21 21 21 | 11.183; 11.7285; 16.6352 90; 90; 90 | 2181.87 | Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones. ACS omega, 2017, 2, 6844-6851 |
4516889 | CIF | C18 H21 B2 F8 Fe N7 S3 | P 1 21/c 1 | 12.018; 17.578; 12.558 90; 103.46; 90 | 2580 | Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex. ACS omega, 2017, 2, 3349-3353 |
4516890 | CIF | C18 H21 B2 F8 Fe N7 S3 | P 1 21 1 | 15.3958; 17.8619; 29.6863 90; 103.301; 90 | 7944.7 | Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex. ACS omega, 2017, 2, 3349-3353 |
4516891 | CIF | C18 H21 B2 F8 Fe N7 S3 | P 1 21/c 1 | 12.392; 17.872; 12.651 90; 102.41; 90 | 2736.3 | Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex. ACS omega, 2017, 2, 3349-3353 |
4516892 | CIF | C23 H29 N O3 | P 1 21 1 | 12.4742; 9.8102; 17.1419 90; 103.499; 90 | 2039.78 | Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid. ACS omega, 2017, 2, 4088-4099 |
4516893 | CIF | C28 H50 Br2 N6 Pd | P 1 | 8.095; 14.812; 15.641 66.874; 76.588; 77.346 | 1660.4 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516894 | CIF | C30 H50 Br2 N6 Pd | P 1 | 7.715; 7.865; 14.299 101.479; 95.384; 90.079 | 846.4 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516895 | CIF | C30 H50 Br2 N6 Pd | P 1 | 7.706; 7.8581; 14.256 101.44; 95.42; 90.11 | 842.1 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516896 | CIF | C38 H54 Br2 N6 Pd | P 1 | 11.565; 13.039; 13.719 98.396; 95.925; 101.192 | 1989.1 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516897 | CIF | C32 H50 F6 N6 O4 Pd | P 1 21 1 | 18.899; 11.212; 27.511 90; 95.294; 90 | 5805 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516898 | CIF | C42 H54 F6 N6 O4 Pd | P 1 21 1 | 9.734; 20.3275; 11.937 90; 109.531; 90 | 2226 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516899 | CIF | C32 H50 F6 N6 O4 Pd | P 1 21 1 | 10.561; 11.169; 16.133 90; 92.303; 90 | 1901.4 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516900 | CIF | C42 H54 F6 N6 O4 Pd | P 1 21 1 | 9.702; 20.111; 11.874 90; 109.578; 90 | 2182.9 | Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex. ACS omega, 2017, 2, 4632-4646 |
4516901 | CIF | C30 H19 Br | P 1 21/c 1 | 15.892; 7.5837; 17.555 90; 90.64; 90 | 2115.6 | Dhangar, Gopal; Serrano, Jose Luis; Schulzke, Carola; Gunturu, Krishna Chaitanya; Kapdi, Anant R. Palladacycle-Catalyzed Triple Suzuki Coupling Strategy for the Synthesis of Anthracene-Based OLED Emitters. ACS omega, 2017, 2, 3144-3156 |
4516902 | CIF | C18 H30 O6 | P 1 21/c 1 | 10.37; 16.668; 13.0761 90; 124.978; 90 | 1851.9 | Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters. ACS omega, 2017, 2, 4665-4677 |
4516903 | CIF | C27 H23.15 N O4.07 | C 1 2/c 1 | 39.0066; 22.1515; 21.675 90; 107.667; 90 | 17845.1 | Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives. ACS omega, 2017, 2, 4370-4381 |
4516904 | CIF | C14 H12 Cl N2 O6 | P -1 | 8.1717; 8.2522; 10.8564 79.563; 89.113; 83.6 | 715.5 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516905 | CIF | C14 H12 Cl N2 O6.5 | P -1 | 10.856; 11.154; 14.213 106.325; 104.731; 106.209 | 1479 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516906 | CIF | C14 H11 Cl N2 O6 | P b c a | 7.2428; 13.052; 29.5375 90; 90; 90 | 2792.3 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516907 | CIF | C10 H8 Cl N3 O4 S | P -1 | 7.0003; 8.2219; 10.5516 85.243; 78.471; 79.703 | 584.77 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516908 | CIF | C14 H11 Cl N4 O4 | P 1 21/c 1 | 11.7902; 11.311; 12.3892 90; 109.79; 90 | 1554.63 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516909 | CIF | C11 H9 Cl N4 O4 | P -1 | 6.795; 7.4766; 13.7306 77.211; 88.2; 69.323 | 635.6 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516910 | CIF | C12 H10 Cl N3 O4 | P -1 | 5.7224; 10.5903; 11.2992 95.938; 103.751; 94.742 | 657.47 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516911 | CIF | C12 H10 Cl N3 O4 | P -1 | 5.9445; 10.739; 10.9139 98.91; 95.465; 105.836 | 655.22 | Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162 |
4516912 | CIF | C15 H11 Br N2 | P n a 21 | 8.281; 27.212; 5.4812 90; 90; 90 | 1235.1 | Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines. ACS omega, 2017, 2, 5235-5241 |
4516913 | CIF | C24 H20 N4 O8 S2 | C 1 2/c 1 | 25.456; 5.6041; 16.3636 90; 97.0043; 90 | 2316.98 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega, 2017, 2, 6023-6030 |
4516914 | CIF | C30 H28 N4 O9 | P 1 21/c 1 | 16.095; 21.593; 8.257 90; 101.741; 90 | 2809.6 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega, 2017, 2, 6023-6030 |
4516915 | CIF | C28 H28 N4 O9 S2 | P -1 | 9.2281; 10.7423; 15.1969 81.895; 84.293; 76.469 | 1446.58 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega, 2017, 2, 6023-6030 |
4516916 | CIF | C26 H20 N4 O8 | P 1 21/c 1 | 21.374; 5.9585; 10.0311 90; 92.402; 90 | 1276.41 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega, 2017, 2, 6023-6030 |
4516917 | CIF | C36 H50 Cl2 N10 O8 S4 Zn3 | P n a 21 | 19.6145; 15.4076; 16.3628 90; 90; 90 | 4945 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516918 | CIF | C32 H48 Cl2 Hg N8 O10 S4 Zn2 | I -4 | 17.0064; 17.0064; 15.328 90; 90; 90 | 4433.13 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516919 | CIF | C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 | C 1 2/c 1 | 34.6454; 14.5668; 22.3937 90; 102.175; 90 | 11047.3 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516920 | CIF | C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 | P -1 | 9.59; 17.3124; 18.5657 109.74; 101.536; 101.986 | 2713.11 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516921 | CIF | C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 | P -1 | 10.2995; 14.7078; 16.5684 87.079; 87.966; 75.654 | 2427.73 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516922 | CIF | C39 H52 Cl2 Hg N8 O8 S4 Zn2 | P 1 2/n 1 | 10.6004; 15.5825; 14.5579 90; 91.269; 90 | 2404.1 | Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C. Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters. ACS omega, 2017, 2, 6391-6404 |
4516923 | CIF | C17 H12 N2 O6 | P 1 21/n 1 | 14.309; 5.7406; 19.1631 90; 98.798; 90 | 1555.6 | Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam Aerobic Metal-Free Dioxygenation of Alkenes with <i>tert</i>-Butyl Nitrite and <i>N</i>-Hydroxylamines. ACS omega, 2017, 2, 6278-6290 |
4516924 | CIF | C80 H120 N18 O16 S | P 3 | 27.389; 27.389; 9.7549 90; 90; 120 | 6337.3 | Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors. ACS omega, 2017, 2, 5840-5849 |
4516925 | CIF | C18 H20 N4 O6 | P -1 | 7.7434; 12.1722; 20.2617 95.227; 93.915; 98.882 | 1872.41 | Tarai, Arup; Baruah, Jubaraj B. Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide. ACS omega, 2017, 2, 6991-7001 |
4516926 | CIF | C19 H22 N4 O6 | P -1 | 8.8491; 10.9303; 10.9736 105.249; 93.074; 103.966 | 985.96 | Tarai, Arup; Baruah, Jubaraj B. Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide. ACS omega, 2017, 2, 6991-7001 |
4516927 | CIF | C17 H19 N3 O6 S | P -1 | 8.2476; 9.157; 13.002 80.729; 80.544; 80.501 | 946.2 | Tarai, Arup; Baruah, Jubaraj B. Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide. ACS omega, 2017, 2, 6991-7001 |
4516928 | CIF | C17 H19 N3 O5 S2 | P -1 | 8.9102; 9.9426; 11.7194 91.392; 104.2; 106.984 | 957.44 | Tarai, Arup; Baruah, Jubaraj B. Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide. ACS omega, 2017, 2, 6991-7001 |
4516929 | CIF | C62 H98 F6 N8 O10 Si | P -1 | 13.6859; 17.7916; 30.7988 93.988; 96.865; 109.357 | 6976.8 | Tarai, Arup; Baruah, Jubaraj B. Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide. ACS omega, 2017, 2, 6991-7001 |
4516930 | CIF | C14 H16 Br N O2 | P 1 21/c 1 | 9.2162; 11.9031; 12.665 90; 95.002; 90 | 1384.1 | Zhang, Jie-Huan; Wang, Ru-Bing; Li, De-Feng; Zhao, Li-Ming Green Method To Preparing Oxindole-Fused Spirotetrahydrofuran Scaffolds through Methanesulfonic Acid-Catalyzed Cyclization Reactions of 3-Allyl-3-hydroxy-2-oxindole in Water. ACS omega, 2017, 2, 7022-7028 |
4516931 | CIF | C30 H44 Cu2 I2 P2 Pt S2 | P 1 21 1 | 11.5855; 13.7576; 11.9138 90; 111.058; 90 | 1772.1 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516932 | CIF | C28 H38 Br2 Cu2 N2 P2 Pt S2 | P 1 | 9.1837; 9.7176; 10.067 101.961; 97.001; 90.11 | 872 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516933 | CIF | C28 H38 Cl2 Cu2 N2 P2 Pt S2 | P -1 | 9.1683; 9.6345; 10.0679 101.983; 96.491; 90.18 | 864 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516934 | CIF | C30 H44 P2 Pt S2 | P 1 | 8.724; 9.467; 11.201 98.149; 102.16; 116.678 | 777.9 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516935 | CIF | C30 H44 Cl2 Cu2 P2 Pt S2 | P -1 | 9.11; 9.191; 12.721 69.754; 85.301; 63.395 | 890.1 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516936 | CIF | C14 H19 Cu2 I2 N P Pt0.5 S | P -1 | 10.3208; 10.5678; 11.2817 77.262; 65.786; 63.262 | 1001.2 | Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D. The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design. ACS omega, 2017, 2, 7433-7443 |
4516937 | CIF | C38 H28 Cl2 N2 O4 | P -1 | 11.995; 12.221; 12.496 71.77; 84.647; 62.2 | 1536 | Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide. ACS omega, 2017, 2, 7820-7830 |
4516938 | CIF | C38 H26 Cl N3 O4 | P -1 | 11.8189; 12.2358; 12.625 103.752; 94.826; 118.541 | 1515.5 | Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide. ACS omega, 2017, 2, 7820-7830 |
4516939 | CIF | C20 H17 N3 S | P 1 21/c 1 | 10.4573; 11.9728; 12.8415 90; 93.954; 90 | 1603.97 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516940 | CIF | C16 H15 N3 S | P -1 | 7.7827; 11.3884; 16.0505 93.532; 94.791; 91.122 | 1414.5 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516941 | CIF | C14 H14 N4 | P 42/n b c :2 | 14.5736; 14.5736; 22.951 90; 90; 90 | 4874.6 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516942 | CIF | C20 H18 N4 | P 1 21/c 1 | 7.9733; 7.9374; 25.4882 90; 97.386; 90 | 1599.69 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516943 | CIF | C22 H19 N3 | P -1 | 9.5762; 9.9473; 10.8647 111.404; 112.175; 99.826 | 833.26 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516944 | CIF | C15 H14 N4 O | P 1 21/c 1 | 7.6433; 20.2686; 8.686 90; 112.654; 90 | 1241.81 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516945 | CIF | C15 H19 N5 S | P 21 21 21 | 8.7789; 11.5391; 15.1241 90; 90; 90 | 1532.08 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516946 | CIF | C14 H17 N5 S | P 1 21/n 1 | 9.6381; 12.9175; 12.0791 90; 110.705; 90 | 1406.72 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516947 | CIF | C19 H28 N6 O2 | P 1 21/c 1 | 10.449; 19.1742; 10.5635 90; 110.663; 90 | 1980.27 | Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations. ACS omega, 2017, 2, 8911-8927 |
4516948 | CIF | C28 H28 Cl2 N4 O5 S | C 1 2/c 1 | 18.9579; 15.4754; 20.0404 90; 100.36; 90 | 5783.6 | Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P. Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine. ACS omega, 2017, 2, 8969-8981 |
4516949 | CIF | C27 H25 Cl2 N4 O4.25 P | P -1 | 14.3064; 15.1345; 27.9096 96.495; 92.025; 110.64 | 5600.4 | Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P. Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine. ACS omega, 2017, 2, 8969-8981 |
4516950 | CIF | C33 H30 Cl2 N4 O7 | P -1 | 14.7409; 15.8211; 16.2514 71.928; 63.041; 70.747 | 3130.6 | Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P. Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine. ACS omega, 2017, 2, 8969-8981 |
4516951 | CIF | C29 H30 Cl N O Ru | P 21 21 21 | 9.044; 13.524; 20.436 90; 90; 90 | 2499.5 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
4516952 | CIF | C47 H45 F6 N O P2 Ru | P 1 21 1 | 10.5006; 17.8634; 34.4468 90; 98.1; 90 | 6396.95 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
4516953 | CIF | C49 H49 Cl4 F6 N O P2 Ru | P 1 21 1 | 10.429; 16.431; 14.06 90; 98.59; 90 | 2382.3 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
4516954 | CIF | C12 H16 Cl N O4 | P 1 21/c 1 | 13.091; 12.8548; 8.1538 90; 94.208; 90 | 1368.44 | Zhang, Zhiguo; Gao, Xiaolong; Yu, Haifeng; Bi, Jingjing; Zhang, Guisheng Tandem Oxidative α-Hydroxylation/β-Acetalization Reaction of β-Ketoamides and Its Applications. ACS omega, 2017, 2, 7746-7754 |
4516955 | CIF | C16 H17 N O2 | P -1 | 8.0644; 9.4449; 10.2338 107.774; 104.803; 106.592 | 659.32 | Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides. ACS omega, 2017, 2, 8507-8516 |
4516956 | CIF | C21 H19 N O2 | P 21 21 21 | 5.3885; 14.607; 21 90; 90; 90 | 1652.9 | Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides. ACS omega, 2017, 2, 8507-8516 |
4516957 | CIF | C41 H48 Cl2 N5 O14 | P 1 21/n 1 | 14.698; 19.777; 15.179 90; 96.467; 90 | 4384 | Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach. ACS omega, 2019, 4, 5270-5274 |
4516958 | CIF | C41 H43 N5 O4 | P -1 | 11.256; 11.921; 15.208 69.231; 71.022; 73.095 | 1768.4 | Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach. ACS omega, 2019, 4, 5270-5274 |
4516959 | CIF | C42 H38 Mn2 N2 O12 | C 1 2/c 1 | 21.5201; 10.55; 19.5452 90; 117.251; 90 | 3945 | Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates. ACS omega, 2019, 4, 5221-5232 |
4516960 | CIF | C42 H38 Co2 N2 O12 | C 1 2/c 1 | 21.55; 10.5223; 19.2508 90; 116.538; 90 | 3905.3 | Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates. ACS omega, 2019, 4, 5221-5232 |
4516961 | CIF | C42 H38 N2 O12 Zn2 | C 1 2/c 1 | 21.5019; 10.4986; 19.2899 90; 116.769; 90 | 3887.8 | Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates. ACS omega, 2019, 4, 5221-5232 |
4516962 | CIF | C10 H10 O4 | P n a 21 | 14.7048; 5.6391; 21.9019 90; 90; 90 | 1816.1 | Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates. ACS omega, 2019, 4, 5221-5232 |
4516963 | CIF | C26 H42 Cl2 N O Si2 V | P -1 | 9.8243; 10.0464; 17.8772 79.023; 85.859; 63.135 | 1545 | Hayashibara, Hitomi; Ngamnithiporn, Aurapat; Nomura, Kotohiro Reactions of (Arylimido)vanadium(V)-Trialkyl Complexes with Phenols: Effects of Arylimido Ligands and Phenols for Formation of the Vanadium Phenoxides. ACS omega, 2019, 4, 5818-5828 |
4516964 | CIF | C H N O Zn | C 1 2/c 1 | 20.565; 7.6846; 14.6916 90; 130.5; 90 | 1765.5 | Chi-Durán, Ignacio; Enríquez, Javier; Manquián, Carolina; Fritz, Rubén Alejandro; Vega, Andrés; Serafini, Daniel; Herrera, Felipe; Singh, Dinesh Pratap Azide-Based High-Energy Metal-Organic Frameworks with Enhanced Thermal Stability. ACS omega, 2019, 4, 14398-14403 |
4516965 | CIF | C58 H68 Cl4 N5 O8 | P 1 21 1 | 10.2684; 24.0869; 11.3063 90; 90.394; 90 | 2796.37 | Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction. ACS omega, 2019, 4, 13872-13878 |
4516966 | CIF | C58 H69 N7 O8 | P 1 21 1 | 10.719; 22.6325; 11.0891 90; 91.415; 90 | 2689.37 | Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction. ACS omega, 2019, 4, 13872-13878 |
4516967 | CIF | C19 H20 N4 O4 S2 | P 1 21/c 1 | 11.002; 13.517; 13.733 90; 90.081; 90 | 2042.3 | Singh, Munendra Pal; Baruah, Jubaraj B. Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids. ACS omega, 2019, 4, 11609-11620 |
4516968 | CIF | C20 H23 N5 O7 S | P 1 21/n 1 | 8.1221; 22.8639; 13.0456 90; 106.673; 90 | 2320.8 | Singh, Munendra Pal; Baruah, Jubaraj B. Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids. ACS omega, 2019, 4, 11609-11620 |
4516969 | CIF | C25 H26 N6 O6 S | P 1 21/c 1 | 9.3634; 29.19; 9.6803 90; 102.118; 90 | 2586.8 | Singh, Munendra Pal; Baruah, Jubaraj B. Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids. ACS omega, 2019, 4, 11609-11620 |
4516970 | CIF | C21 H26 N4 O6 S | P 1 21/n 1 | 13.4476; 18.841; 18.531 90; 99.115; 90 | 4635.8 | Singh, Munendra Pal; Baruah, Jubaraj B. Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids. ACS omega, 2019, 4, 11609-11620 |
4516971 | CIF | C50 H52 N8 O10 S2 | P 1 21/c 1 | 19.5803; 14.339; 18.2135 90; 90.225; 90 | 5113.6 | Singh, Munendra Pal; Baruah, Jubaraj B. Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids. ACS omega, 2019, 4, 11609-11620 |
4516972 | CIF | C33 H27 Ir N2 O6 | C 1 2/c 1 | 11.88223; 15.04355; 15.39444 90; 90.6397; 90 | 2751.6 | Kim, Taemin; Hong, Jong-In Photoluminescence and Electrochemiluminescence Dual-Signaling Sensors for Selective Detection of Cysteine Based on Iridium(III) Complexes. ACS omega, 2019, 4, 12616-12625 |
4516973 | CIF | C20 H21 N3 O5 | P 1 21/n 1 | 11.7689; 11.6234; 13.7556 90; 100.235; 90 | 1851.75 | Saigal, ?; Irfan, Mohammad; Khan, Parvez; Abid, Mohammad; Khan, Md Musawwer Design, Synthesis, and Biological Evaluation of Novel Fused Spiro-4<i>H</i>-Pyran Derivatives as Bacterial Biofilm Disruptor. ACS omega, 2019, 4, 16794-16807 |
4516974 | CIF | C24 H22 N6 O | P 1 21/c 1 | 24.0794; 4.5338; 19.1155 90; 92.32; 90 | 2085.15 | Ibrahim, Hamada Mohamed; Behbehani, Haider Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones. ACS omega, 2019, 4, 11701-11711 |
4516975 | CIF | C22 H18 Br N6 O1.5 | P 1 2/c 1 | 17.612; 7.593; 15.88 90; 109.057; 90 | 2007 | Ibrahim, Hamada Mohamed; Behbehani, Haider Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones. ACS omega, 2019, 4, 11701-11711 |
4516976 | CIF | C53 H57 N5 Si4 Y | P -1 | 12.8334; 18.935; 21.972 66.153; 86.673; 89.451 | 4874.6 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516977 | CIF | C36 H40 Al N3 | P -1 | 10.0846; 10.7246; 14.7495 88.535; 85.525; 72.732 | 1518.66 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516978 | CIF | C76 H96 N3 O Si4 Y | P -1 | 11.597; 16.582; 21.396 96.041; 104.761; 94.927 | 3929 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516979 | CIF | C80 H78 N5 Si2 Y | P 1 21/n 1 | 12.1287; 22.4625; 24.6736 90; 90.137; 90 | 6722.1 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516980 | CIF | C42 H26 Cl3 N3 Zr | P 1 21/c 1 | 13.128; 20.0709; 16.0162 90; 110.871; 90 | 3943.2 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516981 | CIF | C38 H48 N6 Ti | P -1 | 13.9945; 14.8672; 17.6684 73.736; 87.627; 88.402 | 3525.4 | Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization. ACS omega, 2019, 4, 15879-15892 |
4516982 | CIF | C68 H54 F18 Gd2 N6 O16 S4 | P -1 | 9.9856; 19.6192; 19.7416 90.133; 92.002; 99.276 | 3814.54 | Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties. ACS omega, 2019, 4, 15530-15538 |
4516983 | CIF | C68 H54 F18 N6 O16 S4 Tb2 | P -1 | 9.9699; 19.6079; 19.731 90.217; 91.986; 99.345 | 3803.5 | Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties. ACS omega, 2019, 4, 15530-15538 |
4516984 | CIF | C68 H54 Eu2 F18 N6 O16 S4 | P -1 | 9.9929; 19.6326; 19.7711 90.085; 91.986; 99.198 | 3826.55 | Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties. ACS omega, 2019, 4, 15530-15538 |
4516985 | CIF | C22 H15 N4 O10 Tb | P -1 | 9.3998; 10.5054; 13.1922 96.831; 101.592; 114.954 | 1126.16 | Zhao, Shenglu; Xiao, Jiannan; Zheng, Tianxiang; Liu, Meiying; Wu, Haonan; Liu, Zhiliang Highly Selective and Sensitive Detection of PO<sub>4</sub><sup>3-</sup> Ions in Aqueous Solution by a Luminescent Terbium Metal-Organic Framework. ACS omega, 2019, 4, 16378-16384 |
4516986 | CIF | C31 H31 Ir N3 O5 P | P 1 21/c 1 | 12.232; 15.846; 15.553 90; 105.279; 90 | 2908.1 | Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties. ACS omega, 2019, 4, 16543-16550 |
4516987 | CIF | C27 H17 F4 Ir N3 O3 P | C 1 2/c 1 | 34.92; 10.096; 16.247 90; 104.98; 90 | 5533 | Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties. ACS omega, 2019, 4, 16543-16550 |
4516988 | CIF | C21 H32 N2 O Si2 Sn | P n m a | 16.7562; 12.0231; 11.4859 90; 90; 90 | 2313.97 | Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes. ACS omega, 2019, 4, 18355-18360 |
4516989 | CIF | C14 H20 O Si2 Sn | P 1 21/n 1 | 6.5883; 15.0745; 16.3118 90; 99.563; 90 | 1597.5 | Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes. ACS omega, 2019, 4, 18355-18360 |
4516990 | CIF | C14 H20 Ge O Si2 | P 1 21/n 1 | 6.4984; 15.098; 16.2057 90; 100.832; 90 | 1561.66 | Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes. ACS omega, 2019, 4, 18355-18360 |
4516991 | CIF | C14 H20 O Pb Si2 | P 1 21/n 1 | 14.6027; 21.7849; 31.2862 90; 98.897; 90 | 9833 | Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes. ACS omega, 2019, 4, 18355-18360 |
4516992 | CIF | C21 H32 N2 O Pb Si2 | P n m a | 16.8368; 12.0431; 11.5413 90; 90; 90 | 2340.2 | Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes. ACS omega, 2019, 4, 18355-18360 |
4516993 | CIF | C15 H8 Br N O | P -1 | 7.3045; 7.6279; 11.8666 78.431; 87.969; 62.9 | 575.45 | Zou, Song; Liu, Yu; Xi, Chanjuan Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles. ACS omega, 2019, 4, 18734-18740 |
4516994 | CIF | C16 H11 N O2 | P -1 | 7.2824; 8.2333; 9.9984 97.9; 90.784; 104.758 | 573.46 | Zou, Song; Liu, Yu; Xi, Chanjuan Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles. ACS omega, 2019, 4, 18734-18740 |
4516995 | CIF | C28 H20 Cu N2 O7 | P -1 | 7.8659; 10.7334; 15.3411 102.735; 93.637; 107.559 | 1192.67 | Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B. Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties. ACS omega, 2019, 4, 18444-18455 |
4516996 | CIF | C28 H18 N2 O6 Zn | P 1 21/n 1 | 7.6269; 18.8777; 16.9569 90; 101.225; 90 | 2394.72 | Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B. Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties. ACS omega, 2019, 4, 18444-18455 |
4516997 | CIF | C40 H34 Cl2 Cu N6 O8 | I 1 2/a 1 | 13.6241; 19.7951; 15.5784 90; 107.568; 90 | 4005.4 | Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B. Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties. ACS omega, 2019, 4, 18444-18455 |
4516998 | CIF | C20 H22 Cl Cu N3 O8 | P 1 21/c 1 | 13.3912; 13.7749; 13.12 90; 116.239; 90 | 2170.8 | Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B. Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties. ACS omega, 2019, 4, 18444-18455 |
4516999 | CIF | C84 H54 Cd3 N6 O18 | P 21 21 2 | 16.1308; 23.6787; 9.7385 90; 90; 90 | 3719.7 | Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B. Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties. ACS omega, 2019, 4, 18444-18455 |
4517000 | CIF | C51 H40 B Cl2 F15 N3 V | P -1 | 11.1068; 12.9223; 19.2069 77.295; 74.617; 83.817 | 2589.3 | Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands. ACS omega, 2019, 4, 18833-18845 |
4517001 | CIF | C53 H44 B Cl2 F15 N3 V | I 1 2/a 1 | 23.5392; 16.1604; 31.5068 90; 97.42; 90 | 11884.9 | Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands. ACS omega, 2019, 4, 18833-18845 |
4517132 | CIF | C36 H36 Br2 N2 O5 | P 1 21/c 1 | 19.732; 17.324; 9.857 90; 96.091; 90 | 3350 | Yang, Jun-Li; Ma, Yong-Hui; Li, Yan-Hua; Zhang, Yi-Peng; Tian, Hong-Chang; Huang, Yuan-Cheng; Li, Yan; Chen, Wen; Yang, Li-Juan Design, Synthesis, and Anticancer Activity of Novel Trimethoxyphenyl-Derived Chalcone-Benzimidazolium Salts ACS Omega, 2019, 4, 20381 |
4517133 | CIF | C14 H12 Fe2 N2 O12 | P -1 | 7.2508; 8.01; 8.795 82.177; 70.183; 64.893 | 435.1 | Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes” ACS Omega, 2019, 4, 20423 |
4517134 | CIF | C14 H14 Fe2 N2 O13 | C 1 2/c 1 | 11.3981; 21.713; 7.5145 90; 90.043; 90 | 1859.7 | Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes” ACS Omega, 2019, 4, 20423 |
4517135 | CIF | C56 H64 Co4 F6 N15 O16 P | C 1 2/c 1 | 19.559; 13.6319; 24.52 90; 106.255; 90 | 6276.3 | Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study ACS Omega, 2019 |
4517136 | CIF | C52 H56 Co4 F6 N15 O16 P | C 1 2/c 1 | 19; 13.808; 24.205 90; 104.68; 90 | 6143 | Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study ACS Omega, 2019 |
4517156 | CIF | C18 H30 N3 Nd O12 | P -1 | 9.5238; 12.2283; 13.4495 79.596; 80.582; 88.007 | 1519.79 | Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions ACS Omega, 2019 |
4517157 | CIF | C18 H30 La N3 O12 | P -1 | 9.4804; 12.3468; 13.5959 79.729; 80.339; 87.876 | 1543.68 | Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions ACS Omega, 2019 |
4517188 | CIF | C15 H24 Cl Ir N O2.5 | P 21 21 21 | 9.75071; 15.60697; 21.237 90; 90; 90 | 3231.83 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517189 | CIF | C12.5 H20 Cl2 Ir N O2 | P 21 21 21 | 12.8063; 14.5872; 16.3284 90; 90; 90 | 3050.28 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517190 | CIF | C14 H22 B F4 Ir N2 O2 | P 1 21 1 | 9.7519; 8.5712; 11.3815 90; 105.931; 90 | 914.79 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517191 | CIF | C30 H46 F12 Ir2 N2 O4 P2 | P 63 | 17.7694; 17.7694; 12.1058 90; 90; 120 | 3310.32 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517192 | CIF | C54 H98 B3 F12 Ir3 N8 O11 | P -1 | 11.8589; 12.0553; 24.3256 97.538; 93.547; 94.776 | 3426.29 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517193 | CIF | C96 H152 F48 Ir8 N8 O16 P8 | C 1 2/c 1 | 37.569; 12.7541; 36.915 90; 123.638; 90 | 14726.3 | Morris, David M.; Merola, Joseph S. Octametallic Cluster of Cp*Ir(glycinato) Cations. ACS omega, 2019, 4, 22126-22132 |
4517194 | CIF | Er Ge H6 K5 O42 W11 | I 4/m | 14.4847; 14.4847; 12.3555 90; 90; 90 | 2592.3 | Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E. Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3). ACS omega, 2019, 4, 21873-21882 |
4517195 | CIF | Dy Ge H8 K5 O43 W11 | I 4/m | 14.48; 14.48; 12.391 90; 90; 90 | 2598 | Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E. Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3). ACS omega, 2019, 4, 21873-21882 |
4517219 | CIF | C32 H44.8 Fe2 N8 O17.4 | P b c a | 18.0203; 18.028; 22.855 90; 90; 90 | 7424.9 | Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R. Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue ACS Omega, 2019, 4, 22487 |
4517220 | CIF | C22 H30 N4 O8 | P 21 21 21 | 7.3272; 13.6323; 23.8535 90; 90; 90 | 2382.6 | Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R. Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue ACS Omega, 2019, 4, 22487 |
4517221 | CIF | C44 H58 Fe2 N10 O31 | P 1 21/c 1 | 12.1188; 18.1908; 14.0536 90; 105.176; 90 | 2990.1 | Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R. Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue ACS Omega, 2019, 4, 22487 |
4517222 | CIF | C35 H32 B Fe O P | P 21 21 21 | 7.2519; 16.6879; 23.0206 90; 90; 90 | 2785.9 | Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines ACS Omega, 2019, 4, 22540 |
4517223 | CIF | C30 H30 B Fe O2 P | P 21 21 21 | 8.0956; 10.9588; 28.2204 90; 90; 90 | 2503.66 | Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines ACS Omega, 2019, 4, 22540 |
4517224 | CIF | C37 H33 Cl6 Fe O P Ru | P -1 | 8.7032; 14.3818; 15.747 69.995; 86.666; 73.762 | 1776.7 | Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines ACS Omega, 2019, 4, 22540 |
4517225 | CIF | C42.5 H46 Cl4 Fe O2 P Ru | P -1 | 10.0321; 12.8901; 17.3984 90.327; 101.504; 110.961 | 2051.46 | Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines ACS Omega, 2019, 4, 22540 |
4517226 | CIF | C61.01 H55.04 Cl5 Fe2 O4 P2 Ru | P 21 21 21 | 10.8773; 19.3811; 52.8787 90; 90; 90 | 11147.6 | Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines ACS Omega, 2019, 4, 22540 |
4517263 | CIF | C36 H31 Cu2 N10 O13 | P 1 21/c 1 | 15.485; 20.386; 12.655 90; 101.146; 90 | 3919.5 | Jana, Srikanta; Ray, Apurba; Chandra, Angeera; El Fallah, M. Salah; Das, Sachindranath; Sinha, Chittaranjan Studies on Magnetic and Dielectric Properties of Antiferromagnetically Coupled Dinuclear Cu(II) in a One-Dimensional Cu(II) Coordination Polymer ACS Omega, 2019 |
4517275 | CIF | C36 H34 Br2 N4 O3 | P 1 21/c 1 | 13.6753; 9.5139; 26.448 90; 97.271; 90 | 3413.4 | Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance ACS Omega, 2019 |
4517276 | CIF | C36 H36 Cl2 N4 O3 | P 1 21/c 1 | 13.513; 9.3806; 25.521 90; 94.479; 90 | 3225.2 | Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance ACS Omega, 2019 |
4517277 | CIF | C33 H29 Cl2 N4 O3 | P -1 | 9.5793; 12.2135; 13.5543 92.238; 107.023; 96.087 | 1503.7 | Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance ACS Omega, 2019 |
4517278 | CIF | C33 H30 Br2 N4 O3 | P -1 | 9.56; 12.335; 13.635 92.659; 106.547; 95.976 | 1528 | Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance ACS Omega, 2019 |
4517279 | CIF | C16 H12 O4 | P -1 | 6.5821; 10.142; 10.29 63.671; 84.888; 87.848 | 613.2 | Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties ACS Omega, 2019 |
4517280 | CIF | C18 H14 O6 | P 1 21/c 1 | 21.3923; 7.6312; 18.8511 90; 102.79; 90 | 3001.1 | Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties ACS Omega, 2019 |
4517281 | CIF | C16 H12 O4 | P -1 | 7.8899; 8.5877; 9.7421 99.496; 105.841; 90.879 | 625.05 | Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties ACS Omega, 2019 |
4517282 | CIF | C15 H10 N4 | P -1 | 6.8145; 6.9404; 27.8047 90.453; 91.895; 103.098 | 1279.96 | Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication ACS Omega, 2019 |
4517283 | CIF | C15 H10 N4 | P 1 21/c 1 | 7.165; 43.924; 8.416 90; 106.87; 90 | 2534.7 | Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication ACS Omega, 2019 |
4517288 | CIF | C24 H32 Cu F6 N6 O9 P | P -1 | 9.8494; 10.0898; 17.7292 86.873; 75.394; 70.241 | 1603.7 | Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties ACS Omega, 2019 |
4517289 | CIF | C22 H28 Cu F12 N12 O8 P2 | P -1 | 9.7997; 10.2097; 17.6484 92.439; 98.427; 108.372 | 1650.2 | Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties ACS Omega, 2019 |
4517297 | CIF | C84 H54 Cl2 P2 Pd | P 1 n 1 | 16.66; 15.5656; 28.2198 90; 97.375; 90 | 7257.5 | Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex. ACS omega, 2020, 5, 882-892 |
4517306 | CIF | C22 H33 N3 O4 S Si | P 63/m | 23.6621; 23.6621; 7.5296 90; 90; 120 | 3650.98 | Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M. Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst ACS Omega, 2020, 5, 1528-1539 |
4517307 | CIF | C41 H50 B2 N4 P2 Ti | P 1 21/c 1 | 11.0617; 24.4886; 17.3459 90; 122.08; 90 | 3981.29 | Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes ACS Omega, 2020, 5, 1595-1606 |
4517308 | CIF | C40 H40 B2 Cl0 N2 P2 Zr | P -1 | 10.8835; 13.0462; 26.353 95.711; 101.515; 101.049 | 3561.4 | Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes ACS Omega, 2020, 5, 1595-1606 |
4517309 | CIF | C60 H60 B4 N4 P4 Zr | P 1 21/n 1 | 12.6729; 21.3485; 23.3993 90; 96.078; 90 | 6295.03 | Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes ACS Omega, 2020, 5, 1595-1606 |
4517349 | CIF | C70 H106 F12 P2 Ru2 S12 | P -1 | 10.8307; 13.7904; 15.3733 107.399; 96.927; 108.983 | 2010.6 | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes ACS Omega, 2020 |
4517350 | CIF | C14 H17 F6 P Ru S3 | P 1 21/c 1 | 8.0817; 9.6637; 23.803 90; 99.684; 90 | 1832.5 | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes ACS Omega, 2020 |
4517351 | CIF | C32 H40 F12 N2 P2 Ru2 S6 | P 1 21/n 1 | 8.2478; 16.2374; 15.405 90; 99.669; 90 | 2033.8 | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes ACS Omega, 2020 |
4517352 | CIF | C44 H64 F12 N2 P2 Ru2 S6 | P 1 21/c 1 | 21.314; 14.4802; 17.724 90; 91.531; 90 | 5468.2 | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes ACS Omega, 2020 |
4517353 | CIF | C20 H29 F6 P Ru S3 | P 21 21 2 | 21.815; 40.483; 10.9637 90; 90; 90 | 9682.4 | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes ACS Omega, 2020 |
4517354 | CIF | C22 H20 N2 Pb Se2 | P 1 21 1 | 5.4824; 9.0496; 21.3585 90; 93.8688; 90 | 1057.26 | Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y. Solution and Solid-State Characterization of PbSe Precursors ACS Omega, 2020 |
4517362 | CIF | C27 H29 N3 O5 | P 1 21 1 | 6.9049; 17.9673; 10.1305 90; 106.637; 90 | 1204.2 | Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation ACS Omega, 2020 |
4517363 | CIF | C25 H25 N3 O4 | P 1 21/c 1 | 13.2844; 9.4272; 36.075 90; 93.302; 90 | 4510.3 | Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation ACS Omega, 2020 |
4517364 | CIF | C27 H29 N3 O4 | P 1 21 1 | 6.9113; 18.1972; 10.137 90; 105.648; 90 | 1227.64 | Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation ACS Omega, 2020 |
4517386 | CIF | C14 H18 N6 O3 S | P b c a | 15.3961; 13.602; 16.0574 90; 90; 90 | 3362.7 | Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions. ACS omega, 2020, 5, 2939-2946 |
4517387 | CIF | C9 H14 N6 O2 S | P -1 | 8.1536; 8.732; 9.8349 89.139; 81.378; 68.29 | 642.57 | Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions. ACS omega, 2020, 5, 2939-2946 |
4517403 | CIF | C6 H6 Cl2 O7 U0.5 | C 1 2/c 1 | 13.7293; 11.363; 12.5175 90; 95.847; 90 | 1942.65 | Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S. A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework. ACS omega, 2020, 5, 3462-3466 |
4517404 | CIF | C12 H12 Cl4 O14 U | C 1 2/c 1 | 13.8598; 11.496; 12.61 90; 96.415; 90 | 1996.6 | Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S. A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework. ACS omega, 2020, 5, 3462-3466 |
4517405 | CIF | C25 H17 N O2 | P -1 | 9.529; 10.567; 20.407 87.353; 86.97; 63.261 | 1832 | Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H. Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions. ACS omega, 2020, 5, 3646-3660 |
4517407 | CIF | C17 H23 N3 O3 S | P 1 | 7.9413; 7.9555; 8.0755 81.685; 63.54; 72.764 | 436.18 | Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems. ACS omega, 2020, 5, 3717-3724 |
4517414 | CIF | C26 H28 N6 O14 Zn | P 1 21/n 1 | 7.8574; 19.2849; 9.9755 90; 102.355; 90 | 1476.57 | Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega, 2020, 5, 3774-3785 |
4517415 | CIF | C20 H20 N4 O12 Zn | P -1 | 5.9866; 8.7293; 22.354 96.624; 90.797; 90.264 | 1160.3 | Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega, 2020, 5, 3774-3785 |
4517416 | CIF | C28 H28 N6 O12 Zn | C 1 2/c 1 | 20.1428; 6.2816; 25.1031 90; 104.399; 90 | 3076.5 | Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega, 2020, 5, 3774-3785 |
4517417 | CIF | C42 H36 N8 O20 Zn2 | C 1 2/c 1 | 22.0343; 13.6328; 15.1548 90; 100.715; 90 | 4473 | Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega, 2020, 5, 3774-3785 |
4517418 | CIF | C26 H22 N6 O11 Zn | P -1 | 8.0671; 12.718; 14.3069 81.172; 76.06; 74.624 | 1367.3 | Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega, 2020, 5, 3774-3785 |
4517430 | CIF | C49 H30 N2 O | P 1 21/n 1 | 9.6783; 23.209; 14.9411 90; 95.11; 90 | 3342.8 | Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion. ACS omega, 2020, 5, 3749-3754 |
4517432 | CIF | C18 H14 F4 O4 | P 1 21/c 1 | 13.7445; 17.581; 7.2542 90; 101.283; 90 | 1719 | Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters ACS Omega, 2020, 5, 4158-4166 |
4517451 | CIF | C4 H5 Mo O8 | P -1 | 7.555; 7.727; 8.337 105.747; 96.866; 115.116 | 408.5 | Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G. Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond ACS Omega, 2020 |
4517452 | CIF | C4 H5 Cr O8 | P -1 | 7.489; 7.545; 8.142 106.303; 95.252; 113.775 | 393 | Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G. Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond ACS Omega, 2020 |
4517453 | CIF | C38 H31 F6 Ir N4 O P | P n a 21 | 23.9369; 9.0172; 33.4311 90; 90; 90 | 7215.9 | Lin, Nan; Ou, Hui-Dan; Xu, Qiyan; Jin, Yan; Deng, Wei; Yao, Zi-Jian An Efficient Probe of Cyclometallated Phosphorescent Iridium Complex for Selective Detection of Cyanide ACS Omega, 2020 |
4517503 | CIF | C5 H3 Au Cl2 N2 O2 | P b c a | 7.2868; 14.4003; 16.4259 90; 90; 90 | 1723.6 | Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega, 2020, 5, 6826-6833 |
4517504 | CIF | C24 H22 Au F3 N3 O5 P S | P -1 | 7.0334; 12.6524; 15.688 79.435; 81.214; 89.464 | 1356 | Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega, 2020, 5, 6826-6833 |
4517505 | CIF | C5 H4 Au Cl2 N3 O | P -1 | 6.6857; 7.2848; 8.9057 94.664; 106.878; 91.649 | 413.06 | Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega, 2020, 5, 6826-6833 |
4517506 | CIF | C15 H8 Cl4 F6 N4 O | P 21 21 2 | 12.627; 16.99; 4.5162 90; 90; 90 | 968.9 | Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata Tandem Detection of Sub-Nano Molar Level CN‒ and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN‒ and Development of the RGB-Based Sensory Device ACS Omega, 2020, 5, 6576-6587 |
4517507 | CIF | C4 H10 Cd Cl4 F6 N2 | C 1 2/c 1 | 25.831; 7.3258; 7.3487 90; 90; 90 | 1390.6 | Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega, 2020, 5, 6773-6780 |
4517508 | CIF | C4 H12 Cd Cl4 F4 N2 | P b c a | 7.5273; 7.4027; 23.054 90; 90; 90 | 1284.6 | Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega, 2020, 5, 6773-6780 |
4517509 | CIF | C4 H14 Cd Cl4 F2 N2 | P 1 21/c 1 | 11.2047; 7.6515; 7.305 90; 104.162; 90 | 607.24 | Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega, 2020, 5, 6773-6780 |
4517510 | CIF | C4 H12 Cd Cl4 F4 N2 | C m c e | 7.461; 23.412; 7.5566 90; 90; 90 | 1320 | Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega, 2020, 5, 6773-6780 |
4517511 | CIF | C H1.5 Cd0.25 Cl F0.5 N0.5 | C m c e | 7.4525; 21.842; 7.5766 90; 90; 90 | 1233.3 | Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega, 2020, 5, 6773-6780 |
4517515 | CIF | C15 H13 N S | P 1 21 1 | 8.7317; 6.1983; 11.9174 90; 110.056; 90 | 605.88 | Pandey, Anand Kumar; Chand, Shiv; Singh, Rahul; Kumar, Saurabh; Singh, Krishna Nand Iodine-Catalyzed Synthesis of 3-Arylthioindoles Employing a 1-Aryltriazene/CS2 Combination as a New Sulfenylation Source ACS Omega, 2020 |
4517535 | CIF | C16 H6 F2 N4 O | P c 21 n | 4.495; 13.8963; 19.758 90; 90; 90 | 1234.2 | Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N. Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization ACS Omega, 2020 |
4517538 | CIF | C44 H42 Co2 F6 N2 O9 | C 1 2/c 1 | 28.201; 14.449; 20.928 90; 91.058; 90 | 8526 | Song, Xiao-Jiao; Xue, Xiao-Ming Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges. ACS omega, 2020, 5, 8347-8354 |
4517539 | CIF | C17 H14 F3 N O2 | C 1 c 1 | 4.42; 43.948; 7.635 90; 97.64; 90 | 1469.9 | Song, Xiao-Jiao; Xue, Xiao-Ming Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges. ACS omega, 2020, 5, 8347-8354 |
4517540 | CIF | C46 H26 Br8 F4 N4 O2 | I 41/a :2 | 20.8825; 20.8825; 10.11 90; 90; 90 | 4408.8 | Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins. ACS omega, 2020, 5, 8893-8901 |
4517541 | CIF | C50 H26 Br8 F12 N4 O2 | P 1 21/c 1 | 36.7959; 10.19901; 30.7172 90; 112.85; 90 | 10623 | Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins. ACS omega, 2020, 5, 8893-8901 |
4517542 | CIF | C50 H51 Cl O P2 Pd | P -1 | 11.4317; 12.324; 15.915 85.293; 74.338; 84.999 | 2146.7 | Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega, 2020, 5, 8912-8918 |
4517543 | CIF | C48 H46 F6 N O2 P2 Pd Sb | P -1 | 12.1515; 12.242; 16.8588 86.933; 70.832; 68.328 | 2194.8 | Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega, 2020, 5, 8912-8918 |
4517544 | CIF | C14 H8 Br2 | P n a 21 | 15.6405; 3.9355; 18.191 90; 90; 90 | 1119.7 | Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega, 2020, 5, 8912-8918 |
4517548 | CIF | C44 H40 Cl2 N2 O12 | P -1 | 7.589; 14.368; 18.561 72.261; 85.4; 88.99 | 1921.4 | Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid. ACS omega, 2020, 5, 8283-8292 |
4517549 | CIF | C12 H14 N2 O | P 1 21/c 1 | 5.0909; 18.372; 11.6238 90; 98.735; 90 | 1074.6 | Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides. ACS omega, 2020, 5, 8515-8522 |
4517550 | CIF | C11 H14 N2 O S | P 1 21/n 1 | 14.8009; 11.9949; 15.0518 90; 114.048; 90 | 2440.29 | Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides. ACS omega, 2020, 5, 8515-8522 |
4517557 | CIF | H5 Na3 Ni | P n m a | 10.4131; 7.3711; 5.4291 90; 90; 90 | 416.72 | Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega, 2020, 5, 8730-8743 |
4517558 | CIF | H5 Na3 Ni | C m c m | 7.3444; 6.8828; 7.2247 90; 90; 90 | 365.21 | Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega, 2020, 5, 8730-8743 |
4517559 | CIF | H5 Na3 Ni | C m c m | 7.3575; 6.7932; 7.2231 90; 90; 90 | 361.02 | Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega, 2020, 5, 8730-8743 |
4517560 | CIF | H5 Na3 Ni | F m -3 m | 7.16905; 7.16905; 7.16905 90; 90; 90 | 368.455 | Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega, 2020, 5, 8730-8743 |
4517561 | CIF | H3 Na Ni | P m -3 m | 3.43235; 3.43235; 3.43235 90; 90; 90 | 40.4366 | Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega, 2020, 5, 8730-8743 |
4517586 | CIF | C14 H25 Co N7 O13 | P 1 21/n 1 | 11.564; 11.051; 18.1 90; 107.954; 90 | 2200.4 | Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors ACS Omega, 2020 |
4517587 | CIF | C14 H24.64 N7 O13 Zn | P 1 21/n 1 | 11.5555; 11.0401; 18.0417 90; 107.654; 90 | 2193.25 | Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors ACS Omega, 2020 |
4517588 | CIF | C20 H30 N8 Ni O12 S2 | P 1 21/c 1 | 7.1817; 8.3024; 23.248 90; 91.594; 90 | 1385.6 | Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors ACS Omega, 2020 |
4517589 | CIF | C20 H30 Co N8 O14 | P -1 | 7.1297; 7.9881; 12.2187 84.616; 86.409; 82.067 | 685.32 | Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors ACS Omega, 2020 |
4517590 | CIF | C20 H30 N8 O14 Zn | P -1 | 7.152; 7.947; 12.222 84.7; 86.949; 82.23 | 684.8 | Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors ACS Omega, 2020 |
4517601 | CIF | C22 H16 O3 | P 1 21/c 1 | 18.0031; 12.0358; 7.5303 90; 99.337; 90 | 1610.06 | Popova, Marina; Soboleva, Tatiana; Benninghoff, Abby D.; Berreau, Lisa M. CO Sense and Release Flavonols: Progress toward the Development of an Analyte Replacement PhotoCORM for Use in Living Cells ACS Omega, 2020 |
4517602 | CIF | C74 H30 F16 Fe2 N8 O | C 1 c 1 | 20.065; 21.913; 16.255 90; 98.773; 90 | 7063.5 | Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence ACS Omega, 2020 |
4517603 | CIF | C37.86 H16.14 Cl2.14 Cu F8 N4 O0.14 | P 1 21/c 1 | 23.636; 34.02; 30.888 90; 102.819; 90 | 24218 | Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence ACS Omega, 2020 |
4517619 | CIF | C90 H80 Br2 N4 Ni | P 1 21/n 1 | 11.41; 38.9819; 18.2057 90; 97.329; 90 | 8031.4 | Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups ACS Omega, 2020 |
4517620 | CIF | C43 H37 Br2 F N2 Ni O | P 1 21/c 1 | 15.6936; 18.8357; 14.8346 90; 92.195; 90 | 4381.9 | Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups ACS Omega, 2020 |
4517622 | CIF | C42 H76 Cl4 N2 Zn | P b c a | 14.6776; 20.6265; 62.33 90; 90; 90 | 18870.3 | Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate ACS Omega, 2020 |
4517623 | CIF | C42 H76 Cl4 N2 O0.13 Zn | P b c a | 14.0801; 20.5166; 62.5674 90; 90; 90 | 18074.2 | Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate ACS Omega, 2020 |
4517638 | CIF | C16 H8 N28 O14 | P 21 21 21 | 5.383; 12.923; 43.54 90; 90; 90 | 3029 | Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping 3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance. ACS omega, 2020, 5, 11115-11122 |
4517647 | CIF | C25 H22 Cl N3 O2 Ru | P 1 21/n 1 | 15.601; 8.0342; 17.108 90; 93.21; 90 | 2141 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega, 2020, 5, 11167-11179 |
4517648 | CIF | C25 H22 Cl N3 O Ru | P 1 21/n 1 | 15.3365; 8.0892; 17.0781 90; 93.968; 90 | 2113.6 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega, 2020, 5, 11167-11179 |
4517649 | CIF | C35.5 H41 Cl3 N4 O2.5 Ru2 | C 1 2/c 1 | 34.0106; 12.5712; 20.0181 90; 123.395; 90 | 7145.7 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega, 2020, 5, 11167-11179 |
4517650 | CIF | C25.5 H24.5 Cl N4.5 O1.5 Ru | P 1 21/c 1 | 18.414; 16.071; 7.6248 90; 97.453; 90 | 2237.4 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega, 2020, 5, 11167-11179 |
4517654 | CIF | C28 H26 O2 P2 Se4 | P 1 21/n 1 | 7.801; 12.152; 15.317 90; 102.595; 90 | 1417.1 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517655 | CIF | C32 H34 Cl4 O4 P2 Se4 | P -1 | 9.3324; 9.3983; 12.8393 70.724; 88.5; 64.524 | 950.7 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517656 | CIF | C28 H22 O4 P2 Se4 | P 1 21/n 1 | 7.22; 14.28; 13.986 90; 98.244; 90 | 1427.1 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517657 | CIF | C16 H12 N2 O2 Se | P -1 | 7.495; 7.59; 12.69 95.836; 96.199; 107.677 | 676.9 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517658 | CIF | C25 H25 Cl2 N2 P Se2 | P 1 21/n 1 | 9.609; 23.648; 11.5281 90; 101.559; 90 | 2566.4 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517659 | CIF | C23 H21 N2 P Se2 | P 1 21/n 1 | 11.336; 9.2316; 20.825 90; 98.573; 90 | 2155 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517660 | CIF | C23 H21 N2 P Se2 | P 1 21/n 1 | 12.7802; 12.2729; 14.4466 90; 105.094; 90 | 2187.8 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517661 | CIF | C24 H25 N2 P Se2 | P 1 21/n 1 | 14.79; 8.9919; 18.129 90; 108.719; 90 | 2283.4 | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega, 2020, 5, 11737-11744 |
4517703 | CIF | C19 H18 Cl Cu N3 O4 | P 1 21/n 1 | 10.822; 8.919; 19.088 90; 105.07; 90 | 1779 | Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water ACS Omega, 2020 |
4517704 | CIF | C11 H13 N3 O | P c a 21 | 9.873; 12.958; 8.353 90; 90; 90 | 1068.6 | Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water ACS Omega, 2020 |
4517705 | CIF | C13 H17 N3 O2 | P 1 21/c 1 | 5.7635; 24.996; 8.917 90; 97.92; 90 | 1272.4 | Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water ACS Omega, 2020 |
4517739 | CIF | C30 H32 O20 | P 1 21/c 1 | 15.3733; 7.8961; 24.1511 90; 92.627; 90 | 2928.6 | Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>. ACS omega, 2020, 5, 13955-13962 |
4517747 | CIF | C13 H14 N2 O3 | P 21 21 21 | 9.26094; 9.56903; 13.38456 90; 90; 90 | 1186.12 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517748 | CIF | C11 H7 Cl N2 O5 | P 21 21 21 | 7.9009; 10.9614; 13.2772 90; 90; 90 | 1149.87 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517749 | CIF | C11 H8 N2 O5 | P 21 21 21 | 9.6892; 9.8837; 10.8874 90; 90; 90 | 1042.63 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517750 | CIF | C11 H8 N2 O5 | P 1 21 1 | 5.6724; 9.6556; 9.4591 90; 103.91; 90 | 502.89 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517751 | CIF | C11 H11 N2 O3.5 | P 32 2 1 | 14.9944; 14.9944; 9.2172 90; 90; 120 | 1794.68 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517752 | CIF | C11 H8 N2 O3 | P 21 21 21 | 4.7466; 12.1979; 16.5531 90; 90; 90 | 958.4 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517753 | CIF | C13 H14 Cl2 N2 O2 | P 1 | 8.3394; 9.2251; 10.2483 112.584; 102.063; 99.352 | 685.68 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517754 | CIF | C11 H8 N2 O5 | P 21 21 21 | 10.0284; 11.8376; 18.0484 90; 90; 90 | 2142.57 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517755 | CIF | C11 H10 N2 O2 | P 1 21 1 | 9.90829; 9.74229; 19.67523 90; 102.549; 90 | 1853.87 | Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega, 2020, 5, 13926-13939 |
4517765 | CIF | C23 H20 N2 | C 1 c 1 | 6.9727; 19.869; 12.956 90; 91.013; 90 | 1794.7 | Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies. ACS omega, 2020, 5, 14394-14407 |
4517766 | CIF | C36 H26 N2 | P 1 21/c 1 | 9.9474; 14.0292; 18.0762 90; 91.968; 90 | 2521.12 | Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies. ACS omega, 2020, 5, 14394-14407 |
4517767 | CIF | C24 H19 F N2 O4 S | P -1 | 5.8952; 8.3803; 21.5947 94.192; 91.254; 96.483 | 1056.71 | Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives. ACS omega, 2020, 5, 14635-14644 |
4517780 | CIF | C32 H32 Cl4 N12 Ni2 O12 | P -1 | 12.4492; 12.9077; 16.7609 93.584; 93.336; 116.209 | 2400.6 | Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega, 2020, 5, 14890-14899 |
4517781 | CIF | C32 H32 N16 O16 Zn2 | C 1 2/c 1 | 16.747; 16.263; 16.884 90; 102.324; 90 | 4492.5 | Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega, 2020, 5, 14890-14899 |
4517782 | CIF | C15 H14 N6 O2 | P 1 21/c 1 | 17.656; 9.054; 9.668 90; 102.861; 90 | 1506.7 | Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega, 2020, 5, 14890-14899 |
4517783 | CIF | C23 H23 N O3 Sn | P -1 | 8.6269; 9.0681; 14.8527 75.02; 86.4; 65.994 | 1024.16 | Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines ACS Omega, 2020, 5, 15218-15228 |
4517784 | CIF | C12 H12 N2 | P 1 21/n 1 | 9.833; 17.3251; 11.7851 90; 94.219; 90 | 2002.24 | Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega, 2020, 5, 14942-14954 |
4517785 | CIF | C10 H10 N2 S | C 1 2/c 1 | 9.6273; 9.7032; 20.4587 90; 96.053; 90 | 1900.51 | Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega, 2020, 5, 14942-14954 |
4517786 | CIF | C14 H18 Cl2 N2 O Pt S | P 1 21/c 1 | 8.0734; 18.0661; 11.5367 90; 94.229; 90 | 1678.1 | Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega, 2020, 5, 14942-14954 |
4517787 | CIF | C17 H11 N5 O | P 1 21/c 1 | 7.0497; 8.924; 22.361 90; 93.939; 90 | 1403.4 | Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N. Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation ACS Omega, 2020, 5, 15681-15690 |
4517788 | CIF | C16 H26 Mn2 N2 O10 | P 1 21/n 1 | 12.269; 9.289; 21.0005 90; 92.724; 90 | 2390.7 | Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate ACS Omega, 2020, 5, 15592-15600 |
4517789 | CIF | C16 H28 Mn2 N2 O11 | P -1 | 9.362; 10.82; 12.659 70.17; 87.581; 79.631 | 1186.3 | Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate ACS Omega, 2020, 5, 15592-15600 |
4517806 | CIF | C21 H21 N O3 S | P 1 21 1 | 8.2589; 21.876; 10.255 90; 94.625; 90 | 1846.8 | Huang, Yinhua; Wang, Lijun; Li, Junbao; Qiu, Huayu; Leung, Pak-Hing Enantioselective C,P-Palladacycle-Catalyzed Arylation of Imines ACS Omega, 2020 |
4517810 | CIF | C46 H38 Cl0 Mn3 N4 O16 | P -1 | 9.532; 11.506; 14.533 99.097; 90.829; 104.91 | 1518.3 | Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks ACS Omega, 2020 |
4517811 | CIF | C46 H38 Cd3 N4 O16 | P -1 | 9.6055; 11.5225; 14.5832 98.467; 90.413; 105.395 | 1537.4 | Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks ACS Omega, 2020 |
4517812 | CIF | C18 H17 F3 N8 O8 | P -1 | 8.1842; 11.5004; 12.761 86.296; 76.709; 69.343 | 1093.6 | Zhang, Zhuyan; Yu, Nan; Xue, Chang; Gao, Shan; Deng, Zhaopeng; Li, Min; Liu, Cong; Castellot, John; Han, Siying Potential Anti-Tumor Drug: Co-Crystal 5-Fluorouracil-nicotinamide ACS Omega, 2020 |
4517815 | CIF | C49 H51 Cl2 Fe Ir N4 O4 P2 | P -1 | 11.735; 12.2363; 17.4937 104.65; 107.734; 95.338 | 2275.06 | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives ACS Omega, 2020 |
4517816 | CIF | C45 H39 Cl7 I Ir N4 O2 P2 | P 1 21/c 1 | 13.6487; 19.0356; 18.3707 90; 96.227; 90 | 4744.75 | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives ACS Omega, 2020 |
4517817 | CIF | C50 H42 Br2 Cl13 Ir N10 P2 | P 1 21/n 1 | 10.4686; 18.0388; 31.6485 90; 95.908; 90 | 5944.8 | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives ACS Omega, 2020 |
4517818 | CIF | C53.2 H48.8 Cl2 Ir N4 O2 P2 | C 1 2/c 1 | 31.4221; 18.4724; 18.3313 90; 96.855; 90 | 10564.2 | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives ACS Omega, 2020 |
4517819 | CIF | C49 H51 Cl Fe I Ir N4 O4 P2 | P 1 21/c 1 | 14.2092; 11.5302; 28.4666 90; 92.113; 90 | 4660.7 | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives ACS Omega, 2020 |
4517833 | CIF | C15 H21 I N2 O2 | P 1 21 1 | 7.8459; 9.8098; 11.0823 90; 101.069; 90 | 837.1 | Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R. Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity. ACS omega, 2020, 5, 16940-16943 |
4517834 | CIF | C13 H19 I N2 O | P 1 21/n 1 | 11.3057; 11.237; 12.7785 90; 113.087; 90 | 1493.4 | Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R. Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity. ACS omega, 2020, 5, 16940-16943 |
4517837 | CIF | O12 Zn5 | C 1 2/c 1 | 15.342; 6.244; 10.989 90; 100.86; 90 | 1033.8 | Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO. ACS omega, 2020, 5, 17617-17627 |
4517840 | CIF | C8 H7 N | P n a 21 | 7.6102; 5.5255; 14.639 90; 90; 90 | 615.57 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517841 | CIF | C9 H9 N | P n a 21 | 9.3176; 5.2878; 14.2479 90; 90; 90 | 701.99 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517842 | CIF | C9 H9 N O | P 1 2/c 1 | 8.6942; 5.3788; 31.905 90; 95.078; 90 | 1486.16 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517843 | CIF | C9 H9 N O | P c a 21 | 17.5632; 15.4812; 8.2466 90; 90; 90 | 2242.2 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517844 | CIF | C9 H6 N2 | P 21 21 21 | 3.87758; 7.6453; 23.7995 90; 90; 90 | 705.54 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517845 | CIF | C8 H6 N2 O2 | P 1 21/c 1 | 3.75839; 12.0667; 15.8045 90; 90.73; 90 | 716.7 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517846 | CIF | C8 H8 N2 | P n a 21 | 8.452; 10.5415; 7.3742 90; 90; 90 | 657.02 | Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega, 2020, 5, 17141-17151 |
4517847 | CIF | C12 H12 N2 O2 S | P 21 21 21 | 4.163; 14.96; 19.62 90; 90; 90 | 1222 | Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study. ACS omega, 2020, 5, 17324-17336 |
4517855 | CIF | C19 H16 N2 O4 | P n a 21 | 6.3075; 19.6917; 12.4837 90; 90; 90 | 1550.54 | Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate ACS Omega, 2020, 5, 18411-18423 |
4517863 | CIF | C34 H44 N2 Si4 | P 1 21/c 1 | 19.127; 8.086; 11.449 90; 102.525; 90 | 1728.6 | Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties ACS Omega, 2020 |
4517864 | CIF | C30 H32 N2 Si2 | P -1 | 12.2428; 13.0239; 15.2844 68.417; 84.32; 63.486 | 2021.6 | Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties ACS Omega, 2020 |
4517865 | CIF | C28 H26 N2 Si | P -1 | 12.2392; 12.9941; 16.2298 67.242; 89.579; 77.246 | 2312.7 | Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties ACS Omega, 2020 |
4517868 | CIF | C21 H33 N O3 | P 21 21 21 | 12.7623; 28.938; 5.3229 90; 90; 90 | 1965.83 | Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment ACS Omega, 2020 |
4517869 | CIF | C21 H34 N2 O2 | P 1 21 1 | 8.697; 4.949; 23.171 90; 94.349; 90 | 994.4 | Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment ACS Omega, 2020 |
4517871 | CIF | C30 H44 N2 O Rb2 | P 1 21/n 1 | 13.2032; 17.7108; 13.3568 90; 104.055; 90 | 3029.84 | Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T. Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes ACS Omega, 2020 |
4517872 | CIF | C32 H51 Cs2 N2 O3 | P -1 | 11.0782; 13.4018; 13.8529 64.885; 85.879; 69.433 | 1736.3 | Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T. Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes ACS Omega, 2020 |
4517873 | CIF | C92 H152 N4 O9 Rb4 | P 1 21/c 1 | 36.5255; 12.5779; 21.3866 90; 105.589; 90 | 9463.9 | Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T. Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes ACS Omega, 2020 |
4517874 | CIF | C48 H80 Cs2 N2 O5 | C 1 2/c 1 | 39.16; 12.227; 21.282 90; 104.4; 90 | 9870 | Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T. Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes ACS Omega, 2020 |
4517888 | CIF | C13 H30 N12 O8 | P -1 | 8.1746; 11.1625; 13.359 106.939; 98.293; 96.435 | 1138.52 | Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand. ACS omega, 2020, 5, 20428-20437 |
4517892 | CIF | C35 H34 N2 O7 | P 1 21/n 1 | 10.7289; 11.1254; 25.2451 90; 91.502; 90 | 3012.3 | Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate. ACS omega, 2020, 5, 20863-20873 |
4517896 | CIF | C20 H16 N4 O4 | P -1 | 7.9811; 10.8039; 11.8435 68.2887; 81.0025; 65.8247 | 865.56 | Oka, Yoshimi Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation. ACS omega, 2020, 5, 21226-21230 |
4517897 | CIF | C42 H50 N6 Ni2 O10 | P 1 21/n 1 | 10.1941; 15.966; 12.8443 90; 103.751; 90 | 2030.6 | Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K. Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer ACS Omega, 2020, 5, 21873-21882 |
4517898 | CIF | C22 H29 N3 Ni O6 | P 1 21/n 1 | 10.2641; 16.8498; 13.0024 90; 98.545; 90 | 2223.8 | Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K. Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer ACS Omega, 2020, 5, 21873-21882 |
4517899 | CIF | C2 H2 O6 Zr | C 1 2/c 1 | 12.813; 5.8882; 6.7088 90; 118.25; 90 | 445.9 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517900 | CIF | C10 H30 O34 Zr2 | P -1 | 6.9269; 10.4427; 10.6447 78.421; 86.155; 89.945 | 752.56 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517901 | CIF | C6 H4 Na2 O14 Zr | C 1 2/c 1 | 13.8646; 10.4241; 8.929 90; 95.743; 90 | 1284 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517902 | CIF | C6 H9 K O16 Zr | P 1 21/c 1 | 9.2166; 11.169; 14.094 90; 107.718; 90 | 1382 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517903 | CIF | C6 H13 N O16 Zr | P 1 21/c 1 | 9.3411; 11.1701; 14.2537 90; 107.699; 90 | 1416.85 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517904 | CIF | C6 H7 O15 Rb Zr | P -1 | 7.7027; 8.9788; 10.6518 79.179; 72.476; 76.975 | 678.7 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517905 | CIF | C6 H7 Cs O15 Zr | P -1 | 7.7318; 9.1847; 10.6352 78.861; 72.333; 77.713 | 696.41 | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega, 2020, 5, 21260-21270 |
4517958 | CIF | C19 H16 F3 N O4 | P -1 | 7.213; 9.427; 13.291 73.712; 82.58; 86.521 | 859.9 | Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V. Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction. ACS omega, 2020, 5, 20932-20942 |
4517959 | CIF | C20 H18 F3 N O4 | P 1 21 1 | 10.547; 9.089; 10.569 90; 117.789; 90 | 896.3 | Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V. Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction. ACS omega, 2020, 5, 20932-20942 |
4517962 | CIF | C25 H31 Br2 N3 Pd | P b c a | 14.7578; 13.4002; 25.2603 90; 90; 90 | 4995.4 | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling ACS Omega, 2020 |
4517963 | CIF | C17 H20 N2 | P -1 | 7.0473; 9.0925; 10.9446 95.726; 103.104; 101.05 | 662.8 | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling ACS Omega, 2020 |
4517964 | CIF | C17 H21 Br N2 O | C 1 2/c 1 | 14.9361; 11.3341; 20.2385 90; 100.857; 90 | 3364.8 | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling ACS Omega, 2020 |
4517965 | CIF | C20 H27 Br N2 | P 1 21/n 1 | 10.3429; 16.4241; 10.7998 90; 104.481; 90 | 1776.3 | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling ACS Omega, 2020 |
4517966 | CIF | C22 H23 Br2 N3 Pd | P 1 21/n 1 | 13.873; 10.292; 16.064 90; 96.63; 90 | 2278.3 | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling ACS Omega, 2020 |
4517968 | CIF | C27 H23 Cl2 N3 O2 | P 1 21/c 1 | 11.1225; 15.3457; 28.5934 90; 97.894; 90 | 4834.15 | Lai, Xiangfeng; Che, Chao Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy ACS Omega, 2020, 5, 21968-21977 |
4517973 | CIF | C16 H25 N O2 | P b c a | 12.2427; 13.5652; 17.6056 90; 90; 90 | 2923.8 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517974 | CIF | C19 H31 N O2 | R -3 :H | 26.8597; 26.8597; 14.4115 90; 90; 120 | 9004.14 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517975 | CIF | C21 H27 N O2 | P -1 | 8.857; 9.1079; 13.0615 77.457; 89.145; 63.858 | 919.4 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517976 | CIF | C22 H29 N O2 | P -1 | 8.6116; 10.8216; 11.6061 75.729; 88.021; 68.159 | 971 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517977 | CIF | C22 H29 N O3 | P 1 21/n 1 | 10.612; 17.6733; 11.5549 90; 115.593; 90 | 1954.48 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517978 | CIF | C21 H26 N2 O4 | P -1 | 5.8795; 9.886; 17.5739 103.003; 90.612; 101.395 | 974.04 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517979 | CIF | C21 H26 F N O2 | P -1 | 8.8839; 9.2186; 12.9607 77.527; 89.442; 63.762 | 925.14 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517980 | CIF | C21 H26 Cl N O2 | P -1 | 8.9789; 9.004; 13.8615 73.5058; 87.9508; 63.4794 | 956.04 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517981 | CIF | C21 H26 Br N O2 | P 1 21/n 1 | 8.374; 16.994; 14.253 90; 102.068; 90 | 1983.5 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4517982 | CIF | C21 H26 I N O2 | P -1 | 9.2088; 10.4986; 12.2461 92.3307; 109.11; 115.18 | 989.72 | Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I. Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior ACS Omega, 2020 |
4518025 | CIF | C46 H46 O6 P2 | P 1 21/c 1 | 11.8617; 14.6759; 11.3999 90; 96.235; 90 | 1972.8 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518026 | CIF | C60 H74 O6 P2 | P -1 | 6.07681; 12.5823; 18.8446 70.567; 81.108; 85.4235 | 1341.83 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518027 | CIF | C22 H20 Cl3 O3 P | P -1 | 11.0373; 20.9634; 24.3544 76.4018; 81.4278; 80.7315 | 5369.2 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518028 | CIF | C48 H50 O6 P2 | P -1 | 11.6696; 12.2099; 16.0856 78.793; 71.385; 77.94 | 2103.86 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518029 | CIF | C53 H54 O6 P2 | P 1 21/n 1 | 14.58208; 14.63153; 21.2423 90; 96.8405; 90 | 4499.96 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518030 | CIF | C44 H42 O6 P2 | P 1 21/c 1 | 23.019; 9.024; 17.562 90; 95.31; 90 | 3632.4 | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega, 2020, 5, 23621-23630 |
4518031 | CIF | C34 H38 Cl2 N2 O Pd S | P 1 21/n 1 | 19.383; 20.236; 19.392 90; 119.84; 90 | 6598 | Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega, 2020, 5, 24018-24032 |
4518032 | CIF | C32 H36 Cl2 N4 Ni | P 1 21/c 1 | 12.73; 14.003; 8.513 90; 106.232; 90 | 1457 | Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega, 2020, 5, 24018-24032 |
4518033 | CIF | C39.72 H58.29 Cl4 N4 Ni2 O3.43 | I 41/a :2 | 24.275; 24.275; 18.364 90; 90; 90 | 10821 | Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega, 2020, 5, 24018-24032 |
4518034 | CIF | C16 H18 Cl2 N2 Pd | P -1 | 8.623; 9.493; 11.552 112.209; 107.067; 96.813 | 808.3 | Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega, 2020, 5, 24018-24032 |
4518035 | CIF | C38 H38 N2 O2 | P -1 | 9.1117; 9.1126; 9.5279 73.971; 81.252; 86.515 | 751.36 | Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides. ACS omega, 2020, 5, 24033-24044 |
4518036 | CIF | C68 H60 N4 O4 | P -1 | 9.364; 12.4629; 12.6747 105.516; 102.852; 102.045 | 1331.73 | Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides. ACS omega, 2020, 5, 24033-24044 |
4518045 | CIF | C24 H32 N4 O10 S2 | P 1 | 5.6074; 10.999; 11.5162 70.359; 87.896; 80.916 | 660.45 | Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega, 2020, 5, 24746-24753 |
4518046 | CIF | C13 H17 Cl3 N2 O6 | C 1 2 1 | 16.6577; 9.0916; 11.5007 90; 102.302; 90 | 1701.73 | Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega, 2020, 5, 24746-24753 |
4518047 | CIF | C13 H19 Cl2 N3 O5 | P 21 21 21 | 7.0716; 14.82; 15.8935 90; 90; 90 | 1665.66 | Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega, 2020, 5, 24746-24753 |
4518063 | CIF | C19 H23 Br2 N3 O4 | C 1 2/c 1 | 9.7284; 10.1848; 21.6633 90; 95.2937; 90 | 2137.3 | Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts ACS Omega, 2020, 5, 24954-24963 |
4518088 | CIF | C26 H36 O4 S | P 21 21 21 | 6.3541; 11.5712; 32.2251 90; 90; 90 | 2369.34 | Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods ACS Omega, 2020 |
4518089 | CIF | C24 H30 O3 | P 21 21 21 | 12.22; 12.6; 12.894 90; 90; 90 | 1985.3 | Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods ACS Omega, 2020 |
4518090 | CIF | C15 H13 N3 O | C 1 2/c 1 | 21.088; 8.619; 17.432 90; 126.527; 90 | 2546 | Núñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. Carmen; Delgado-Martínez, Patricia; Alkorta, Ibon; Elguero, José; Roussel, Christian Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones ACS Omega, 2020 |
4518098 | CIF | C32 H46 N2 O12 | P 1 21/c 1 | 20.838; 9.193; 8.4373 90; 95.134; 90 | 1609.8 | Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P. Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships ACS Omega, 2020 |
4518099 | CIF | C48 H102 Br16 N10 O12 | P 1 21/n 1 | 16.5989; 8.1632; 28.6162 90; 92.816; 90 | 3872.8 | Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P. Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships ACS Omega, 2020 |
4518100 | CIF | C57 H78 Cl4 N7 O28 | P -1 | 12.5838; 16.0616; 17.8292 71.082; 79.353; 80.748 | 3330.45 | Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P. Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships ACS Omega, 2020 |
4518101 | CIF | C24 H38 O2 S2 | P 21 21 21 | 7.5432; 17.2692; 18.1411 90; 90; 90 | 2363.15 | Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare Easy Access to Polyfunctionalized Chiral Decalins ACS Omega, 2020 |
4518102 | CIF | C15 H12 Cl2 N2 O2 | P 21 21 21 | 7.3051; 9.8993; 19.553 90; 90; 90 | 1414 | Centko, Ryan M.; Carlile, Graeme W.; Barne, Isabel; Patrick, Brian O.; Blagojevic, Polina; Thomas, David Y.; Andersen, Raymond J. Combination of Selective PARP3 and PARP16 Inhibitory Analogues of Latonduine A Corrects F508del-CFTR Trafficking ACS Omega, 2020 |
4518104 | CIF | C25 H33 N3 O5 | P 61 | 13.8479; 13.8479; 22.9802 90; 90; 120 | 3816.4 | Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega, 2020, 5, 26141-26152 |
4518105 | CIF | C10 H10 N2 O2 | P 1 21/c 1 | 9.7164; 12.392; 7.6809 90; 105.389; 90 | 891.67 | Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega, 2020, 5, 26141-26152 |
4518106 | CIF | C1.97 H2.67 N0.25 O0.44 | P 21 21 21 | 11.5951; 15.3645; 18.9752 90; 90; 90 | 3380.49 | Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega, 2020, 5, 26141-26152 |
4518107 | CIF | C18 H24 N3 O6 | C 1 2/c 1 | 26.555; 6.0271; 28.976 90; 115.99; 90 | 4169 | Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega, 2020, 5, 26141-26152 |
4518116 | CIF | C28 H30 N2 O6 | P 1 21 1 | 11.6007; 5.3802; 20.9518 90; 105.418; 90 | 1260.63 | Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II. ACS omega, 2020, 5, 26245-26252 |
4518126 | CIF | C55 H74 Cu2 F6 N8 O16 S2 | P 1 21/c 1 | 18.4812; 20.0663; 16.503 90; 97.1637; 90 | 6072.4 | La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega, 2020, 5, 26573-26582 |
4518127 | CIF | C54 H67 Cu2 F6 N8 O14 S2 | P -1 | 10.2103; 17.798; 17.8614 66.3506; 86.0444; 80.6582 | 2933.8 | La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega, 2020, 5, 26573-26582 |
4518128 | CIF | C55 H74 Cu2 F6 N8 O14 S2 | P 1 21/c 1 | 18.6107; 20.1138; 16.3528 90; 96.202; 90 | 6085.5 | La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega, 2020, 5, 26573-26582 |
4518131 | CIF | C42 H32 N2 Pt S2 | P 1 | 9.9179; 11.9722; 13.8685 93.109; 92.712; 91.78 | 1641.53 | Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M. Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties. ACS omega, 2020, 5, 26855-26863 |
4518135 | CIF | C36 H28 N2 O2 | C 1 2 1 | 20.829; 6.8342; 10.208 90; 112.556; 90 | 1341.95 | Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound. ACS omega, 2020, 5, 27227-27234 |
4518136 | CIF | C18 H15 N5 O2 S | P 1 21/c 1 | 12.8882; 16.8832; 7.8668 90; 106.261; 90 | 1643.3 | Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions. ACS omega, 2020, 5, 27245-27253 |
4518137 | CIF | C16 H13 N5 O2 S | P 1 21/n 1 | 13.888; 4.7349; 23.274 90; 91.509; 90 | 1529.9 | Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions. ACS omega, 2020, 5, 27245-27253 |
4518149 | CIF | C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 | P 1 21 1 | 10.9772; 46.096; 10.9795 90; 93.001; 90 | 5548.1 | Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene ACS Omega, 2020, 5, 27978-27989 |
4518150 | CIF | C95 H110 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 | P 1 21 1 | 10.976; 46; 10.984 90; 93.038; 90 | 5538 | Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene ACS Omega, 2020, 5, 27978-27989 |
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