Crystallography Open Database

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Searching journal of publication like 'ACS omega' volume of publication is 2

COD ID: 4516830
CIF file Formula: - C21 H30 O3 -
Comments: 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 2(1) (2017) 337-345
Space group: P 21 21 21
Cell volume: 1772.29
Cell parameters: 6.08329; 10.36929; 28.0962; 90; 90; 90;  

COD ID: 4516831
CIF file Formula: - C23 H15 N3 O -
Comments: 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 2(1) (2017) 11-19
Space group: P 21 21 21
Cell volume: 1731
Cell parameters: 5.654; 13.433; 22.786; 90; 90; 90;  

COD ID: 4516832
CIF file Formula: - C19 H13 N3 O -
Comments: 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 2(1) (2017) 11-19
Space group: P 1 21/n 1
Cell volume: 1466.03
Cell parameters: 11.8882; 9.102; 13.5891; 90; 94.43; 90;  

COD ID: 4516833
CIF file Formula: - C20 H24 Mn4 N40 O8 -
Comments: 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 2(1) (2017) 346-352
Space group: P 1 21/n 1
Cell volume: 1978.5
Cell parameters: 7.581; 16.404; 16.285; 90; 102.321; 90;  

COD ID: 4516834
CIF file Formula: - C20 H24 N40 O8 Zn4 -
Comments: 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 2(1) (2017) 346-352
Space group: P 1 21/n 1
Cell volume: 1913
Cell parameters: 7.5445; 16.0615; 16.153; 90; 102.219; 90;  

COD ID: 4516835
CIF file Formula: - C20 H14 F6 O4 -
Comments: 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 2(3) (2017) 1104-1115
Space group: P b c a
Cell volume: 3948.05
Cell parameters: 9.796; 18.22; 22.12; 90; 90; 90;  

COD ID: 4516836
CIF file Formula: - C20 H14 F6 O4 -
Comments: 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 2(3) (2017) 1104-1115
Space group: P 1 21/c 1
Cell volume: 1974.36
Cell parameters: 13.957; 8.572; 17.061; 90; 104.7; 90;  

COD ID: 4516837
CIF file Formula: - C40 H32 B Cl2 Cr F20 O4 -
Comments: 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 2(3) (2017) 765-773
Space group: I -4 c 2
Cell volume: 8223.5
Cell parameters: 17.0405; 17.0405; 28.3198; 90; 90; 90;  

COD ID: 4516838
CIF file Formula: - C27 H36 Cr N3 -
Comments: 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 2(3) (2017) 765-773
Space group: P 1 21/n 1
Cell volume: 2385.48
Cell parameters: 7.0261; 28.8953; 11.939; 90; 100.211; 90;  

COD ID: 4516839
CIF file Formula: - C59 H43 B Cl2 Cr F20 N O2 P2 -
Comments: 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 2(3) (2017) 765-773
Space group: P 1 21/c 1
Cell volume: 5836.7
Cell parameters: 20.9402; 17.88; 17.0227; 90; 113.683; 90;  

COD ID: 4516840
CIF file Formula: - C78.5 H55 B Cl3 Cr F20 N2 P4 -
Comments: 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 2(3) (2017) 765-773
Space group: P 1 21/c 1
Cell volume: 7516.1
Cell parameters: 10.5859; 27.5961; 25.9776; 90; 97.937; 90;  

COD ID: 4516841
CIF file Formula: - C32 H12 Ag B F20 N4 -
Comments: 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 2(3) (2017) 765-773
Space group: P 1 21/c 1
Cell volume: 3456.7
Cell parameters: 10.9963; 17.015; 19.1408; 90; 105.158; 90;  

COD ID: 4516842
CIF file Formula: - C21 H20 Cl2 N2 Ni -
Comments: 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 2(6) (2017) 2474-2481
Space group: P 1 21/n 1
Cell volume: 1909.52
Cell parameters: 8.7648; 15.8313; 13.7699; 90; 92.006; 90;  

COD ID: 4516843
CIF file Formula: - C21 H20 Br2 N2 Ni -
Comments: 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 2(6) (2017) 2474-2481
Space group: P 1 21/n 1
Cell volume: 1974.45
Cell parameters: 8.8898; 16.2357; 13.6964; 90; 92.812; 90;  

COD ID: 4516844
CIF file Formula: - C21 H20 I2 N2 Ni -
Comments: 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 2(6) (2017) 2474-2481
Space group: P 1 21/n 1
Cell volume: 2088.34
Cell parameters: 10.6392; 13.9963; 14.0566; 90; 93.891; 90;  

COD ID: 4516845
CIF file Formula: - C41 H38 Cl4 N4 Ni O4 -
Comments: 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 2(6) (2017) 2474-2481
Space group: P 1 21/c 1
Cell volume: 3975
Cell parameters: 14.9404; 14.3046; 18.9865; 90; 101.592; 90;  

COD ID: 4516846
CIF file Formula: - C41 H38 Br Cl3 N4 Ni O4 -
Comments: 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 2(6) (2017) 2474-2481
Space group: P 1 21/c 1
Cell volume: 4010.3
Cell parameters: 14.9042; 14.4103; 19.0672; 90; 101.68; 90;  

COD ID: 4516847
CIF file Formula: - C40 H36 Cl I N4 Ni O4 -
Comments: 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 2(6) (2017) 2474-2481
Space group: P -1
Cell volume: 1830.16
Cell parameters: 9.8216; 10.4129; 18.4809; 86.609; 77.757; 82.462;  

COD ID: 4516848
CIF file Formula: - C30 H27 N3 O -
Comments: 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 2(4) (2017) 1380-1391
Space group: P 1 21/c 1
Cell volume: 2311.81
Cell parameters: 6.4312; 22.8417; 15.8232; 90; 95.972; 90;  

COD ID: 4516849
CIF file Formula: - C19 H21 N3 O -
Comments: 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 2(4) (2017) 1380-1391
Space group: P 1 21/c 1
Cell volume: 1608.2
Cell parameters: 14.5573; 8.6999; 12.7827; 90; 96.586; 90;  

COD ID: 4516850
CIF file Formula: - C56 H52 B2 Cu F8 N4 O4 -
Comments: 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 2(4) (2017) 1380-1391
Space group: I 1 2/c 1
Cell volume: 4959.3
Cell parameters: 16.8731; 13.9085; 21.1754; 90; 93.668; 90;  

COD ID: 4516851
CIF file Formula: - C14 H13 N O -
Comments: 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 2(4) (2017) 1380-1391
Space group: I 1 2/c 1
Cell volume: 2225.75
Cell parameters: 12.1035; 7.5373; 24.9505; 90; 102.083; 90;  

COD ID: 4516852
CIF file Formula: - C28 H26 N3 O -
Comments: 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 2(4) (2017) 1380-1391
Space group: P b c a
Cell volume: 4334.79
Cell parameters: 20.8249; 8.55531; 24.3304; 90; 90; 90;  

COD ID: 4516853
CIF file Formula: - C13 H11 Br2 N -
Comments: Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion. ACS omega 2(4) (2017) 1265-1272
Space group: P 1 21/c 1
Cell volume: 1266.7
Cell parameters: 7.51; 18.28; 9.683; 90; 107.65; 90;  

COD ID: 4516854
CIF file Formula: - C13 H10 Cl N -
Comments: Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion. ACS omega 2(4) (2017) 1265-1272
Space group: P 1 21/c 1
Cell volume: 1144.8
Cell parameters: 8.818; 11.378; 11.618; 90; 100.853; 90;  

COD ID: 4516855
CIF file Formula: - C11 H12 N2 O -
Comments: 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 2(4) (2017) 1392-1399
Space group: P 21 21 21
Cell volume: 976.8
Cell parameters: 5.5786; 7.5398; 23.223; 90; 90; 90;  

COD ID: 4516856
CIF file Formula: - C23 H24 I2 N4 O2 Pd -
Comments: 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 2(4) (2017) 1392-1399
Space group: P 1 21/c 1
Cell volume: 2512.4
Cell parameters: 9.9925; 17.2375; 14.6398; 90; 94.895; 90;  

COD ID: 4516857
CIF file Formula: - C11 H13 B F4 N2 O -
Comments: 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 2(4) (2017) 1392-1399
Space group: P 1 21/c 1
Cell volume: 1241.54
Cell parameters: 5.6463; 8.2933; 26.5684; 90; 93.68; 90;  

COD ID: 4516858
CIF file Formula: - C23 H26 I2 N4 O2 -
Comments: 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 2(4) (2017) 1392-1399
Space group: C 1 2/c 1
Cell volume: 2581.57
Cell parameters: 36.0917; 5.1773; 13.821; 90; 91.583; 90;  

COD ID: 4516859
CIF file Formula: - C17 H15 N O3 -
Comments: 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 2(6) (2017) 2706-2718
Space group: P 21 21 21
Cell volume: 1328.71
Cell parameters: 7.3415; 10.2832; 17.6002; 90; 90; 90;  

COD ID: 4516860
CIF file Formula: - C62 H88 Cu4 N8 Na3 O30 P -
Comments: 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 2(4) (2017) 1535-1549
Space group: P b c n
Cell volume: 7482.4
Cell parameters: 22.9275; 10.705; 30.4859; 90; 90; 90;  

COD ID: 4516861
CIF file Formula: - C62 H92.3 As Cu4 K2 N8 O31.67 -
Comments: 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 2(4) (2017) 1535-1549
Space group: P b c n
Cell volume: 7482.5
Cell parameters: 23.4332; 10.3864; 30.7434; 90; 90; 90;  

COD ID: 4516862
CIF file Formula: - C62 H90 Cl3 N8 Na O28.5 P Zn4 -
Comments: 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 2(4) (2017) 1535-1549
Space group: I 1 2/a 1
Cell volume: 15967.3
Cell parameters: 32.2177; 13.35; 39.051; 90; 108.074; 90;  

COD ID: 4516863
CIF file Formula: - C71 H62 Br4 Cl2 O3 P2 Pd2 -
Comments: 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 2(5) (2017) 1930-1937
Space group: P 1 21/c 1
Cell volume: 6849.3
Cell parameters: 12.3561; 21.5867; 25.9119; 90; 97.685; 90;  

COD ID: 4516864
CIF file Formula: - C56 H74 Al2 N2 P2 -
Comments: 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 2(6) (2017) 2405-2414
Space group: P -1
Cell volume: 2548.6
Cell parameters: 10.4695; 13.2135; 20.0206; 80.529; 75.371; 72.857;  

COD ID: 4516865
CIF file Formula: - C32 H43 Al N P -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 1 21/c 1
Cell volume: 2864.41
Cell parameters: 8.86; 17.185; 18.9406; 90; 96.662; 90;  

COD ID: 4516866
CIF file Formula: - C44 H53 Al N P -
Comments: 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 2(6) (2017) 2405-2414
Space group: P -1
Cell volume: 1917.6
Cell parameters: 9.0888; 12.6922; 18.1397; 81.178; 75.876; 71.478;  

COD ID: 4516867
CIF file Formula: - C48 H60 Al N P Si -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 1 21/c 1
Cell volume: 4398.8
Cell parameters: 22.224; 10.3811; 19.8887; 90; 106.535; 90;  

COD ID: 4516868
CIF file Formula: - C66 H94 Al2 N2 P2 Si2 -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 21 21 21
Cell volume: 6571.5
Cell parameters: 11.2201; 17.0091; 34.4339; 90; 90; 90;  

COD ID: 4516869
CIF file Formula: - C43 H51 Al Br N P -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 1 21/n 1
Cell volume: 3909.76
Cell parameters: 9.8448; 21.6758; 18.8506; 90; 103.603; 90;  

COD ID: 4516870
CIF file Formula: - C35 H41 Al Br N2 P -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 1 21/n 1
Cell volume: 3217.11
Cell parameters: 12.8768; 15.7414; 16.2486; 90; 102.37; 90;  

COD ID: 4516871
CIF file Formula: - C41 H56 Al N3 P -
Comments: 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 2(6) (2017) 2405-2414
Space group: P 1 21/n 1
Cell volume: 3834.18
Cell parameters: 10.4534; 21.1539; 17.4007; 90; 94.825; 90;  

COD ID: 4516872
CIF file Formula: - C16 H6 N4 O4 -
Comments: 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 2(4) (2017) 1594-1600
Space group: P 1 21 1
Cell volume: 650.08
Cell parameters: 3.7419; 8.4966; 20.448; 90; 90.597; 90;  

COD ID: 4516873
CIF file Formula: - C15 H6 Br N3 O4 -
Comments: 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 2(4) (2017) 1594-1600
Space group: P 1 21/c 1
Cell volume: 1331.1
Cell parameters: 7.4784; 8.6549; 20.629; 90; 94.493; 90;  

COD ID: 4516874
CIF file Formula: - C38 H32 B Cl2 F2 N3 O5 -
Comments: 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 2(6) (2017) 2568-2576
Space group: P 1 21/n 1
Cell volume: 3392.1
Cell parameters: 10.4594; 12.3954; 26.28; 90; 95.388; 90;  

COD ID: 4516875
CIF file Formula: - C36 H28 B Cl2 F2 N3 O3 -
Comments: 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 2(6) (2017) 2568-2576
Space group: P -1
Cell volume: 1614.7
Cell parameters: 10.5005; 10.9651; 14.867; 90.158; 104.416; 102.641;  

COD ID: 4516876
CIF file Formula: - C41 H36 B F2 N3 O6 -
Comments: 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 2(6) (2017) 2568-2576
Space group: P -1
Cell volume: 1874
Cell parameters: 11.441; 12.524; 13.818; 95.751; 90.47; 107.762;  

COD ID: 4516877
CIF file Formula: - C39 H32 B F2 N3 O4 -
Comments: 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 2(6) (2017) 2568-2576
Space group: P -1
Cell volume: 1628.9
Cell parameters: 10.8724; 12.3475; 13.0261; 106.184; 98.292; 98.518;  

COD ID: 4516878
CIF file Formula: - C24 H19 N3 O2 -
Comments: 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 2(6) (2017) 2770-2777
Space group: P 1 21/n 1
Cell volume: 1925.61
Cell parameters: 14.079; 9.5407; 15.4359; 90; 111.764; 90;  

COD ID: 4516879
CIF file Formula: - C34 H30 F2 N6 O5 -
Comments: 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 2(6) (2017) 2770-2777
Space group: P 1 21/c 1
Cell volume: 1511.1
Cell parameters: 11.975; 6.8162; 18.711; 90; 98.345; 90;  

COD ID: 4516880
CIF file Formula: - C17 H26 N2 O3 -
Comments: 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 2(6) (2017) 2967-2976
Space group: P 21 21 21
Cell volume: 1788.3
Cell parameters: 5.0999; 15.0074; 23.3654; 90; 90; 90;  

COD ID: 4516881
CIF file Formula: - C30 H50 N6 O29 P6 Ru -
Comments: 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 2(7) (2017) 3901-3912
Space group: P -1
Cell volume: 2633.08
Cell parameters: 11.5528; 12.6752; 20.7463; 97.0831; 96.7463; 117.036;  

COD ID: 4516882
CIF file Formula: - C34 H34 N4 O2 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: R -3 :H
Cell volume: 14870
Cell parameters: 33.259; 33.259; 15.5227; 90; 90; 120;  

COD ID: 4516883
CIF file Formula: - C22 H16 N2 O2 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: P c a 21
Cell volume: 3177.4
Cell parameters: 22.72; 8.2209; 17.0117; 90; 90; 90;  

COD ID: 4516884
CIF file Formula: - C23 H20 N2 O2 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: P 1 21/c 1
Cell volume: 1824.6
Cell parameters: 9.266; 15.0394; 13.5414; 90; 104.785; 90;  

COD ID: 4516885
CIF file Formula: - C23 H20 N2 O4 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: R -3 :H
Cell volume: 11765
Cell parameters: 42.788; 42.788; 7.4202; 90; 90; 120;  

COD ID: 4516886
CIF file Formula: - C23 H20 N2 O3 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: P -1
Cell volume: 915.54
Cell parameters: 7.4731; 9.404; 14.367; 93.623; 100.659; 111.227;  

COD ID: 4516887
CIF file Formula: - C34 H32 N4 O2 -
Comments: Zhai, Feng; Jordan, Richard F. Autoxidation of Heterocyclic Aminals. ACS omega 2(6) (2017) 3055-3063
Space group: C 1 2/c 1
Cell volume: 5438.7
Cell parameters: 18.3177; 11.2752; 26.814; 90; 100.871; 90;  

COD ID: 4516888
CIF file Formula: - C26 H22 Cl2 N2 O -
Comments: 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 2(10) (2017) 6844-6851
Space group: P 21 21 21
Cell volume: 2181.87
Cell parameters: 11.183; 11.7285; 16.6352; 90; 90; 90;  

COD ID: 4516889
CIF file Formula: - C18 H21 B2 F8 Fe N7 S3 -
Comments: 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 2(7) (2017) 3349-3353
Space group: P 1 21/c 1
Cell volume: 2580
Cell parameters: 12.018; 17.578; 12.558; 90; 103.46; 90;  

COD ID: 4516890
CIF file Formula: - C18 H21 B2 F8 Fe N7 S3 -
Comments: 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 2(7) (2017) 3349-3353
Space group: P 1 21 1
Cell volume: 7944.7
Cell parameters: 15.3958; 17.8619; 29.6863; 90; 103.301; 90;  

COD ID: 4516891
CIF file Formula: - C18 H21 B2 F8 Fe N7 S3 -
Comments: 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 2(7) (2017) 3349-3353
Space group: P 1 21/c 1
Cell volume: 2736.3
Cell parameters: 12.392; 17.872; 12.651; 90; 102.41; 90;  

COD ID: 4516892
CIF file Formula: - C23 H29 N O3 -
Comments: 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 2(8) (2017) 4088-4099
Space group: P 1 21 1
Cell volume: 2039.78
Cell parameters: 12.4742; 9.8102; 17.1419; 90; 103.499; 90;  

COD ID: 4516893
CIF file Formula: - C28 H50 Br2 N6 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1
Cell volume: 1660.4
Cell parameters: 8.095; 14.812; 15.641; 66.874; 76.588; 77.346;  

COD ID: 4516894
CIF file Formula: - C30 H50 Br2 N6 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1
Cell volume: 846.4
Cell parameters: 7.715; 7.865; 14.299; 101.479; 95.384; 90.079;  

COD ID: 4516895
CIF file Formula: - C30 H50 Br2 N6 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1
Cell volume: 842.1
Cell parameters: 7.706; 7.8581; 14.256; 101.44; 95.42; 90.11;  

COD ID: 4516896
CIF file Formula: - C38 H54 Br2 N6 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1
Cell volume: 1989.1
Cell parameters: 11.565; 13.039; 13.719; 98.396; 95.925; 101.192;  

COD ID: 4516897
CIF file Formula: - C32 H50 F6 N6 O4 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1 21 1
Cell volume: 5805
Cell parameters: 18.899; 11.212; 27.511; 90; 95.294; 90;  

COD ID: 4516898
CIF file Formula: - C42 H54 F6 N6 O4 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1 21 1
Cell volume: 2226
Cell parameters: 9.734; 20.3275; 11.937; 90; 109.531; 90;  

COD ID: 4516899
CIF file Formula: - C32 H50 F6 N6 O4 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1 21 1
Cell volume: 1901.4
Cell parameters: 10.561; 11.169; 16.133; 90; 92.303; 90;  

COD ID: 4516900
CIF file Formula: - C42 H54 F6 N6 O4 Pd -
Comments: 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 2(8) (2017) 4632-4646
Space group: P 1 21 1
Cell volume: 2182.9
Cell parameters: 9.702; 20.111; 11.874; 90; 109.578; 90;  

COD ID: 4516901
CIF file Formula: - C30 H19 Br -
Comments: 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 2(7) (2017) 3144-3156
Space group: P 1 21/c 1
Cell volume: 2115.6
Cell parameters: 15.892; 7.5837; 17.555; 90; 90.64; 90;  

COD ID: 4516902
CIF file Formula: - C18 H30 O6 -
Comments: 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 2(8) (2017) 4665-4677
Space group: P 1 21/c 1
Cell volume: 1851.9
Cell parameters: 10.37; 16.668; 13.0761; 90; 124.978; 90;  

COD ID: 4516903
CIF file Formula: - C27 H23.15 N O4.07 -
Comments: 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 2(8) (2017) 4370-4381
Space group: C 1 2/c 1
Cell volume: 17845.1
Cell parameters: 39.0066; 22.1515; 21.675; 90; 107.667; 90;  

COD ID: 4516904
CIF file Formula: - C14 H12 Cl N2 O6 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 715.5
Cell parameters: 8.1717; 8.2522; 10.8564; 79.563; 89.113; 83.6;  

COD ID: 4516905
CIF file Formula: - C14 H12 Cl N2 O6.5 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 1479
Cell parameters: 10.856; 11.154; 14.213; 106.325; 104.731; 106.209;  

COD ID: 4516906
CIF file Formula: - C14 H11 Cl N2 O6 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P b c a
Cell volume: 2792.3
Cell parameters: 7.2428; 13.052; 29.5375; 90; 90; 90;  

COD ID: 4516907
CIF file Formula: - C10 H8 Cl N3 O4 S -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 584.77
Cell parameters: 7.0003; 8.2219; 10.5516; 85.243; 78.471; 79.703;  

COD ID: 4516908
CIF file Formula: - C14 H11 Cl N4 O4 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P 1 21/c 1
Cell volume: 1554.63
Cell parameters: 11.7902; 11.311; 12.3892; 90; 109.79; 90;  

COD ID: 4516909
CIF file Formula: - C11 H9 Cl N4 O4 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 635.6
Cell parameters: 6.795; 7.4766; 13.7306; 77.211; 88.2; 69.323;  

COD ID: 4516910
CIF file Formula: - C12 H10 Cl N3 O4 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 657.47
Cell parameters: 5.7224; 10.5903; 11.2992; 95.938; 103.751; 94.742;  

COD ID: 4516911
CIF file Formula: - C12 H10 Cl N3 O4 -
Comments: 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 2(10) (2017) 7146-7162
Space group: P -1
Cell volume: 655.22
Cell parameters: 5.9445; 10.739; 10.9139; 98.91; 95.465; 105.836;  

COD ID: 4516912
CIF file Formula: - C15 H11 Br N2 -
Comments: 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 2(8) (2017) 5235-5241
Space group: P n a 21
Cell volume: 1235.1
Cell parameters: 8.281; 27.212; 5.4812; 90; 90; 90;  

COD ID: 4516913
CIF file Formula: - C24 H20 N4 O8 S2 -
Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega 2(9) (2017) 6023-6030
Space group: C 1 2/c 1
Cell volume: 2316.98
Cell parameters: 25.456; 5.6041; 16.3636; 90; 97.0043; 90;  

COD ID: 4516914
CIF file Formula: - C30 H28 N4 O9 -
Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega 2(9) (2017) 6023-6030
Space group: P 1 21/c 1
Cell volume: 2809.6
Cell parameters: 16.095; 21.593; 8.257; 90; 101.741; 90;  

COD ID: 4516915
CIF file Formula: - C28 H28 N4 O9 S2 -
Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega 2(9) (2017) 6023-6030
Space group: P -1
Cell volume: 1446.58
Cell parameters: 9.2281; 10.7423; 15.1969; 81.895; 84.293; 76.469;  

COD ID: 4516916
CIF file Formula: - C26 H20 N4 O8 -
Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. ACS omega 2(9) (2017) 6023-6030
Space group: P 1 21/c 1
Cell volume: 1276.41
Cell parameters: 21.374; 5.9585; 10.0311; 90; 92.402; 90;  

COD ID: 4516917
CIF file Formula: - C36 H50 Cl2 N10 O8 S4 Zn3 -
Comments: 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 2(10) (2017) 6391-6404
Space group: P n a 21
Cell volume: 4945
Cell parameters: 19.6145; 15.4076; 16.3628; 90; 90; 90;  

COD ID: 4516918
CIF file Formula: - C32 H48 Cl2 Hg N8 O10 S4 Zn2 -
Comments: 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 2(10) (2017) 6391-6404
Space group: I -4
Cell volume: 4433.13
Cell parameters: 17.0064; 17.0064; 15.328; 90; 90; 90;  

COD ID: 4516919
CIF file Formula: - C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -
Comments: 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 2(10) (2017) 6391-6404
Space group: C 1 2/c 1
Cell volume: 11047.3
Cell parameters: 34.6454; 14.5668; 22.3937; 90; 102.175; 90;  

COD ID: 4516920
CIF file Formula: - C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -
Comments: 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 2(10) (2017) 6391-6404
Space group: P -1
Cell volume: 2713.11
Cell parameters: 9.59; 17.3124; 18.5657; 109.74; 101.536; 101.986;  

COD ID: 4516921
CIF file Formula: - C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -
Comments: 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 2(10) (2017) 6391-6404
Space group: P -1
Cell volume: 2427.73
Cell parameters: 10.2995; 14.7078; 16.5684; 87.079; 87.966; 75.654;  

COD ID: 4516922
CIF file Formula: - C39 H52 Cl2 Hg N8 O8 S4 Zn2 -
Comments: 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 2(10) (2017) 6391-6404
Space group: P 1 2/n 1
Cell volume: 2404.1
Cell parameters: 10.6004; 15.5825; 14.5579; 90; 91.269; 90;  

COD ID: 4516923
CIF file Formula: - C17 H12 N2 O6 -
Comments: 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 2(9) (2017) 6278-6290
Space group: P 1 21/n 1
Cell volume: 1555.6
Cell parameters: 14.309; 5.7406; 19.1631; 90; 98.798; 90;  

COD ID: 4516924
CIF file Formula: - C80 H120 N18 O16 S -
Comments: 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 2(9) (2017) 5840-5849
Space group: P 3
Cell volume: 6337.3
Cell parameters: 27.389; 27.389; 9.7549; 90; 90; 120;  

COD ID: 4516925
CIF file Formula: - C18 H20 N4 O6 -
Comments: 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 2(10) (2017) 6991-7001
Space group: P -1
Cell volume: 1872.41
Cell parameters: 7.7434; 12.1722; 20.2617; 95.227; 93.915; 98.882;  

COD ID: 4516926
CIF file Formula: - C19 H22 N4 O6 -
Comments: 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 2(10) (2017) 6991-7001
Space group: P -1
Cell volume: 985.96
Cell parameters: 8.8491; 10.9303; 10.9736; 105.249; 93.074; 103.966;  

COD ID: 4516927
CIF file Formula: - C17 H19 N3 O6 S -
Comments: 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 2(10) (2017) 6991-7001
Space group: P -1
Cell volume: 946.2
Cell parameters: 8.2476; 9.157; 13.002; 80.729; 80.544; 80.501;  

COD ID: 4516928
CIF file Formula: - C17 H19 N3 O5 S2 -
Comments: 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 2(10) (2017) 6991-7001
Space group: P -1
Cell volume: 957.44
Cell parameters: 8.9102; 9.9426; 11.7194; 91.392; 104.2; 106.984;  

COD ID: 4516929
CIF file Formula: - C62 H98 F6 N8 O10 Si -
Comments: 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 2(10) (2017) 6991-7001
Space group: P -1
Cell volume: 6976.8
Cell parameters: 13.6859; 17.7916; 30.7988; 93.988; 96.865; 109.357;  

COD ID: 4516930
CIF file Formula: - C14 H16 Br N O2 -
Comments: 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 2(10) (2017) 7022-7028
Space group: P 1 21/c 1
Cell volume: 1384.1
Cell parameters: 9.2162; 11.9031; 12.665; 90; 95.002; 90;  

COD ID: 4516931
CIF file Formula: - C30 H44 Cu2 I2 P2 Pt S2 -
Comments: 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 2(10) (2017) 7433-7443
Space group: P 1 21 1
Cell volume: 1772.1
Cell parameters: 11.5855; 13.7576; 11.9138; 90; 111.058; 90;  

COD ID: 4516932
CIF file Formula: - C28 H38 Br2 Cu2 N2 P2 Pt S2 -
Comments: 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 2(10) (2017) 7433-7443
Space group: P 1
Cell volume: 872
Cell parameters: 9.1837; 9.7176; 10.067; 101.961; 97.001; 90.11;  

COD ID: 4516933
CIF file Formula: - C28 H38 Cl2 Cu2 N2 P2 Pt S2 -
Comments: 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 2(10) (2017) 7433-7443
Space group: P -1
Cell volume: 864
Cell parameters: 9.1683; 9.6345; 10.0679; 101.983; 96.491; 90.18;  

COD ID: 4516934
CIF file Formula: - C30 H44 P2 Pt S2 -
Comments: 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 2(10) (2017) 7433-7443
Space group: P 1
Cell volume: 777.9
Cell parameters: 8.724; 9.467; 11.201; 98.149; 102.16; 116.678;  

COD ID: 4516935
CIF file Formula: - C30 H44 Cl2 Cu2 P2 Pt S2 -
Comments: 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 2(10) (2017) 7433-7443
Space group: P -1
Cell volume: 890.1
Cell parameters: 9.11; 9.191; 12.721; 69.754; 85.301; 63.395;  

COD ID: 4516936
CIF file Formula: - C14 H19 Cu2 I2 N P Pt0.5 S -
Comments: 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 2(10) (2017) 7433-7443
Space group: P -1
Cell volume: 1001.2
Cell parameters: 10.3208; 10.5678; 11.2817; 77.262; 65.786; 63.262;  

COD ID: 4516937
CIF file Formula: - C38 H28 Cl2 N2 O4 -
Comments: 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 2(11) (2017) 7820-7830
Space group: P -1
Cell volume: 1536
Cell parameters: 11.995; 12.221; 12.496; 71.77; 84.647; 62.2;  

COD ID: 4516938
CIF file Formula: - C38 H26 Cl N3 O4 -
Comments: 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 2(11) (2017) 7820-7830
Space group: P -1
Cell volume: 1515.5
Cell parameters: 11.8189; 12.2358; 12.625; 103.752; 94.826; 118.541;  

COD ID: 4516939
CIF file Formula: - C20 H17 N3 S -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 1 21/c 1
Cell volume: 1603.97
Cell parameters: 10.4573; 11.9728; 12.8415; 90; 93.954; 90;  

COD ID: 4516940
CIF file Formula: - C16 H15 N3 S -
Comments: 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 2(12) (2017) 8911-8927
Space group: P -1
Cell volume: 1414.5
Cell parameters: 7.7827; 11.3884; 16.0505; 93.532; 94.791; 91.122;  

COD ID: 4516941
CIF file Formula: - C14 H14 N4 -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 42/n b c :2
Cell volume: 4874.6
Cell parameters: 14.5736; 14.5736; 22.951; 90; 90; 90;  

COD ID: 4516942
CIF file Formula: - C20 H18 N4 -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 1 21/c 1
Cell volume: 1599.69
Cell parameters: 7.9733; 7.9374; 25.4882; 90; 97.386; 90;  

COD ID: 4516943
CIF file Formula: - C22 H19 N3 -
Comments: 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 2(12) (2017) 8911-8927
Space group: P -1
Cell volume: 833.26
Cell parameters: 9.5762; 9.9473; 10.8647; 111.404; 112.175; 99.826;  

COD ID: 4516944
CIF file Formula: - C15 H14 N4 O -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 1 21/c 1
Cell volume: 1241.81
Cell parameters: 7.6433; 20.2686; 8.686; 90; 112.654; 90;  

COD ID: 4516945
CIF file Formula: - C15 H19 N5 S -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 21 21 21
Cell volume: 1532.08
Cell parameters: 8.7789; 11.5391; 15.1241; 90; 90; 90;  

COD ID: 4516946
CIF file Formula: - C14 H17 N5 S -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 1 21/n 1
Cell volume: 1406.72
Cell parameters: 9.6381; 12.9175; 12.0791; 90; 110.705; 90;  

COD ID: 4516947
CIF file Formula: - C19 H28 N6 O2 -
Comments: 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 2(12) (2017) 8911-8927
Space group: P 1 21/c 1
Cell volume: 1980.27
Cell parameters: 10.449; 19.1742; 10.5635; 90; 110.663; 90;  

COD ID: 4516948
CIF file Formula: - C28 H28 Cl2 N4 O5 S -
Comments: 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 2(12) (2017) 8969-8981
Space group: C 1 2/c 1
Cell volume: 5783.6
Cell parameters: 18.9579; 15.4754; 20.0404; 90; 100.36; 90;  

COD ID: 4516949
CIF file Formula: - C27 H25 Cl2 N4 O4.25 P -
Comments: 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 2(12) (2017) 8969-8981
Space group: P -1
Cell volume: 5600.4
Cell parameters: 14.3064; 15.1345; 27.9096; 96.495; 92.025; 110.64;  

COD ID: 4516950
CIF file Formula: - C33 H30 Cl2 N4 O7 -
Comments: 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 2(12) (2017) 8969-8981
Space group: P -1
Cell volume: 3130.6
Cell parameters: 14.7409; 15.8211; 16.2514; 71.928; 63.041; 70.747;  

COD ID: 4516954
CIF file Formula: - C12 H16 Cl N O4 -
Comments: 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 2(11) (2017) 7746-7754
Space group: P 1 21/c 1
Cell volume: 1368.44
Cell parameters: 13.091; 12.8548; 8.1538; 90; 94.208; 90;  

COD ID: 4516955
CIF file Formula: - C16 H17 N O2 -
Comments: 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 2(11) (2017) 8507-8516
Space group: P -1
Cell volume: 659.32
Cell parameters: 8.0644; 9.4449; 10.2338; 107.774; 104.803; 106.592;  

COD ID: 4516956
CIF file Formula: - C21 H19 N O2 -
Comments: 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 2(11) (2017) 8507-8516
Space group: P 21 21 21
Cell volume: 1652.9
Cell parameters: 5.3885; 14.607; 21; 90; 90; 90;  


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