Crystallography Open Database

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Searching journal of publication like 'The Journal of organic chemistry' volume of publication is 80

COD ID: 4030134
CIF file Formula: - C35 H39 Br -
Comments: Mallory, Frank B.; Regan, Colleen K.; Bohen, Joseph M.; Mallory, Clelia W.; Bohen, Alyssa A.; Carroll, Patrick J. Discovery of Deep-Seated Skeletal Rearrangements in the Photocyclizations of Some tert-Butyl-Substituted 1,2-Diarylethylenes. The Journal of organic chemistry 80(1) (2014) 8
Space group: P 1 21/c 1
Cell volume: 2739
Cell parameters: 10.211; 24.258; 12.287; 90; 115.848; 90;  

COD ID: 4030286
CIF file Formula: - C24 H22 Br N O3 -
Comments: Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid. The Journal of organic chemistry 80(1) (2014) 438
Space group: P c a 21
Cell volume: 4222.1
Cell parameters: 16.9222; 10.4851; 23.796; 90; 90; 90;  

COD ID: 4030287
CIF file Formula: - C24 H23 Br2 N O3 -
Comments: Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid. The Journal of organic chemistry 80(1) (2014) 438
Space group: P 1 21/n 1
Cell volume: 2244.3
Cell parameters: 13.2694; 11.5931; 15.3462; 90; 108.069; 90;  

COD ID: 4030288
CIF file Formula: - C19 H15 Br2 N O -
Comments: Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid. The Journal of organic chemistry 80(1) (2014) 438
Space group: P 1 21/n 1
Cell volume: 1717.8
Cell parameters: 9.6427; 19.228; 9.9157; 90; 110.877; 90;  

COD ID: 4030289
CIF file Formula: - C27 H44.5 O3 -
Comments: Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R. Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D. The Journal of organic chemistry 80(1) (2014) 165
Space group: I 2 2 2
Cell volume: 7156
Cell parameters: 7.2241; 30.833; 32.125; 90; 90; 90;  

COD ID: 4030290
CIF file Formula: - C19 H16 O5 -
Comments: Pasciak, Erick M.; Rittichier, Jonathan T.; Chen, Chun-Hsing; Mubarak, Mohammad S.; VanNieuwenhze, Michael S.; Peters, Dennis G. Electroreductive Dimerization of Coumarin and Coumarin Analogues at Carbon Cathodes. The Journal of organic chemistry 80(1) (2014) 274
Space group: P -1
Cell volume: 735.3
Cell parameters: 6.6262; 7.6055; 16.197; 84.686; 81.539; 65.692;  

COD ID: 4030291
CIF file Formula: - C19 H26 O8 -
Comments: Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S. Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction. The Journal of organic chemistry 80(1) (2014) 460
Space group: C 1 2 1
Cell volume: 1872.91
Cell parameters: 16.8112; 4.9796; 23.1742; 90; 105.11; 90;  

COD ID: 4030292
CIF file Formula: - C22 H28 O7 -
Comments: Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S. Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction. The Journal of organic chemistry 80(1) (2014) 460
Space group: P 1 21 1
Cell volume: 2071.62
Cell parameters: 8.5036; 26.1166; 9.3544; 90; 94.3007; 90;  

COD ID: 4030293
CIF file Formula: - C31 H44 O5 -
Comments: Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A. Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen. The Journal of organic chemistry 80(1) (2014) 266
Space group: P 21 21 21
Cell volume: 5375.7
Cell parameters: 7.4322; 22.4492; 32.2193; 90; 90; 90;  

COD ID: 4030294
CIF file Formula: - C32 H48 O3 -
Comments: Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A. Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen. The Journal of organic chemistry 80(1) (2014) 266
Space group: P 21 21 21
Cell volume: 2711.3
Cell parameters: 7.0603; 16.009; 23.988; 90; 90; 90;  

COD ID: 4030295
CIF file Formula: - C31 H44 O4 -
Comments: Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A. Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen. The Journal of organic chemistry 80(1) (2014) 266
Space group: P 1 21 1
Cell volume: 2690
Cell parameters: 11.9733; 7.2755; 31.2394; 90; 98.701; 90;  

COD ID: 4030296
CIF file Formula: - C31 H46 O3 -
Comments: Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A. Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen. The Journal of organic chemistry 80(1) (2014) 266
Space group: P 21 21 21
Cell volume: 2620.1
Cell parameters: 7.1561; 15.9743; 22.9204; 90; 90; 90;  

COD ID: 4030297
CIF file Formula: - C16 H19 Br O4 -
Comments: Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D. Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone. The Journal of organic chemistry 80(1) (2014) 204
Space group: C 1 2 1
Cell volume: 3151
Cell parameters: 28.65; 4.9547; 22.409; 90; 97.901; 90;  

COD ID: 4030298
CIF file Formula: - C26 H26 N2 O5 S -
Comments: Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B. Stereoselective Synthesis of Hexahydro-1H-spiro[isoquinoline-4,4'-pyran] Scaffolds through an Intramolecular Prins Cascade Process. The Journal of organic chemistry 80(1) (2014) 653
Space group: P -1
Cell volume: 2340.3
Cell parameters: 11.8197; 13.799; 14.935; 82.224; 80.254; 78.604;  

COD ID: 4030299
CIF file Formula: - C29 H26 Br N3 O -
Comments: Palkó, Roberta; Egyed, Orsolya; Rokob, Tibor András; Bombicz, Petra; Riedl, Zsuzsanna; Hajós, György Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization. The Journal of organic chemistry 80(1) (2014) 174
Space group: P -1
Cell volume: 1251.64
Cell parameters: 8.9351; 10.5522; 14.2075; 91.2659; 104.146; 104.655;  

COD ID: 4030300
CIF file Formula: - C48 H56 N2 Si2 -
Comments: Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F. Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics. The Journal of organic chemistry 80(1) (2014) 582
Space group: P 1 21/c 1
Cell volume: 4820
Cell parameters: 16.33; 20.33; 14.711; 90; 99.3; 90;  

COD ID: 4030301
CIF file Formula: - C34 H48 N2 Si2 -
Comments: Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F. Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics. The Journal of organic chemistry 80(1) (2014) 582
Space group: P -1
Cell volume: 3338.2
Cell parameters: 7.5797; 17.349; 26.474; 103.24; 98.052; 93.741;  

COD ID: 4030302
CIF file Formula: - C17 H19 N O4 -
Comments: Achar, Tapas Kumar; Mal, Prasenjit Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation. The Journal of organic chemistry 80(1) (2014) 666
Space group: P 1 21/c 1
Cell volume: 1509.43
Cell parameters: 22.9995; 5.0912; 12.9419; 90; 95.103; 90;  

COD ID: 4030303
CIF file Formula: - C21 H19 N O -
Comments: Achar, Tapas Kumar; Mal, Prasenjit Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation. The Journal of organic chemistry 80(1) (2014) 666
Space group: P 1 21/c 1
Cell volume: 1616.74
Cell parameters: 5.7438; 18.2969; 15.3844; 90; 90.528; 90;  

COD ID: 4030304
CIF file Formula: - C46.4 H47.2 Br2 Cl0.8 N6 O8.2 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 21/c 1
Cell volume: 4129.7
Cell parameters: 17.6618; 17.4368; 13.5068; 90; 96.873; 90;  

COD ID: 4030305
CIF file Formula: - C27 H30 N2 O7 S -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 n 1
Cell volume: 1266.67
Cell parameters: 9.5308; 9.7901; 13.8253; 90; 100.914; 90;  

COD ID: 4030306
CIF file Formula: - C34 H45 Br N2 O6 Si -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P -1
Cell volume: 1719.75
Cell parameters: 8.0482; 14.1277; 15.3665; 99.073; 94.101; 91.448;  

COD ID: 4030307
CIF file Formula: - C42 H39 F3 N6 O11 S2 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 21/n 1
Cell volume: 4258.3
Cell parameters: 17.6754; 11.5184; 22.3282; 90; 110.488; 90;  

COD ID: 4030308
CIF file Formula: - C22 H20 N2 O5 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 21/c 1
Cell volume: 1852.24
Cell parameters: 7.5798; 30.0522; 8.3663; 90; 103.61; 90;  

COD ID: 4030309
CIF file Formula: - C23 H24 Br N3 O4 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 21/c 1
Cell volume: 2085.34
Cell parameters: 8.932; 27.1836; 9.0145; 90; 107.683; 90;  

COD ID: 4030310
CIF file Formula: - C37 H39 N3 O4 S2 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 21/n 1
Cell volume: 3195.9
Cell parameters: 15.5078; 11.2221; 18.4268; 90; 94.725; 90;  

COD ID: 4030311
CIF file Formula: - C22 H19 Br N2 O5 -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 21 21 21
Cell volume: 1940.5
Cell parameters: 9.1581; 12.6857; 16.703; 90; 90; 90;  

COD ID: 4030312
CIF file Formula: - C26 H22 N4 O5 S -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 21 21 21
Cell volume: 4684.2
Cell parameters: 13.243; 14.115; 25.059; 90; 90; 90;  

COD ID: 4030313
CIF file Formula: - C33 H27 Cl F3 N7 O6 S -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P -1
Cell volume: 1597.82
Cell parameters: 10.9264; 12.1779; 14.2739; 73.033; 67.662; 67.376;  

COD ID: 4030314
CIF file Formula: - C12 H10 O4 -
Comments: Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins. The Journal of organic chemistry 80(1) (2014) 620
Space group: P -1
Cell volume: 515.07
Cell parameters: 7.5873; 8.0869; 10.0489; 102.73; 96.588; 117.756;  

COD ID: 4030316
CIF file Formula: - C24 H39 N4 O3 P -
Comments: Seifert, Cole W.; Pindi, Suresh; Li, Guigen Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments. The Journal of organic chemistry 80(1) (2014) 447
Space group: P 1 21 1
Cell volume: 1212.66
Cell parameters: 9.2564; 11.0884; 11.8407; 90; 93.789; 90;  

COD ID: 4030317
CIF file Formula: - C18 H18 N2 O4 S -
Comments: Avila, Eloah P.; Justo, Rodrigo M. S.; Gonçalves, Vanessa P; Pereira, Adriane A.; Diniz, Renata; Amarante, Giovanni W. Chiral Brønsted Acid-Catalyzed Stereoselective Mannich-Type Reaction of Azlactones with Aldimines. The Journal of organic chemistry 80(1) (2014) 590
Space group: P 21 21 21
Cell volume: 1825.73
Cell parameters: 9.4842; 13.6912; 14.0603; 90; 90; 90;  

COD ID: 4030318
CIF file Formula: - C13 H13 N O2 -
Comments: Modak, Atanu; Rana, Sujoy; Maiti, Debabrata Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone. The Journal of organic chemistry 80(1) (2014) 296
Space group: P -1
Cell volume: 1049.9
Cell parameters: 6.2791; 9.689; 17.74; 79.89; 87.19; 81.26;  

COD ID: 4030319
CIF file Formula: - C13 H13 N O -
Comments: Modak, Atanu; Rana, Sujoy; Maiti, Debabrata Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone. The Journal of organic chemistry 80(1) (2014) 296
Space group: P 1 21/c 1
Cell volume: 1063.1
Cell parameters: 6.514; 12.217; 13.374; 90; 92.8; 90;  

COD ID: 4030320
CIF file Formula: - C24 H16 Br4 O8 -
Comments: Boukouvalas, John; Thibault, Charles Step-Economical Synthesis of the Marine Ascidian Antibiotics Cadiolide A, B, and D. The Journal of organic chemistry 80(1) (2014) 681
Space group: P 1 21/n 1
Cell volume: 2398.6
Cell parameters: 8.574; 13.462; 21.063; 90; 99.394; 90;  

COD ID: 4030321
CIF file Formula: - C10 H13 N O2 S -
Comments: Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams. The Journal of organic chemistry 80(1) (2014) 685
Space group: P 1 21 1
Cell volume: 511.92
Cell parameters: 6.4713; 6.9416; 11.6404; 90; 101.765; 90;  

COD ID: 4030322
CIF file Formula: - C9 H7 N5 O2 S2 -
Comments: Ismael, A.; Borba, A.; Henriques, M. S. C.; Paixão, J A; Fausto, R.; Cristiano, M. L. S. Structure and Photochemistry of a Saccharyl Thiotetrazole. The Journal of organic chemistry 80(1) (2014) 392
Space group: P 1 21/c 1
Cell volume: 1167.98
Cell parameters: 11.4904; 9.23; 11.485; 90; 106.486; 90;  

COD ID: 4030323
CIF file Formula: - C19 H25 N3 O4 -
Comments: Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes. The Journal of organic chemistry 80(1) (2014) 595
Space group: P 21 21 21
Cell volume: 2473
Cell parameters: 6.9301; 15.6506; 22.801; 90; 90; 90;  

COD ID: 4030324
CIF file Formula: - C26 H20 N2 O3 -
Comments: Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S. Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds. The Journal of organic chemistry 80(1) (2014) 18
Space group: P 1 21/a 1
Cell volume: 2051.15
Cell parameters: 12.5026; 13.2431; 12.5514; 90; 99.25; 90;  

COD ID: 4030325
CIF file Formula: - C25 H21 N O4 -
Comments: Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S. Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds. The Journal of organic chemistry 80(1) (2014) 18
Space group: P b c a
Cell volume: 4027
Cell parameters: 15.8984; 12.9658; 19.5357; 90; 90; 90;  

COD ID: 4030326
CIF file Formula: - C25 H42 N O2 P -
Comments: Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds. The Journal of organic chemistry 80(1) (2014) 62
Space group: P 21 21 21
Cell volume: 2459.9
Cell parameters: 8.637; 10.927; 26.065; 90; 90; 90;  

COD ID: 4030327
CIF file Formula: - C20 H23 N O5 -
Comments: Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion. The Journal of organic chemistry 80(1) (2014) 223
Space group: P c a 21
Cell volume: 1865.3
Cell parameters: 13.407; 15.6938; 8.8651; 90; 90; 90;  

COD ID: 4030328
CIF file Formula: - C14 H18 N2 O5 -
Comments: Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion. The Journal of organic chemistry 80(1) (2014) 223
Space group: P 1 21/c 1
Cell volume: 3022
Cell parameters: 17.6047; 17.8743; 9.7826; 90; 100.979; 90;  

COD ID: 4030329
CIF file Formula: - C16 H21 N O5 -
Comments: Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion. The Journal of organic chemistry 80(1) (2014) 223
Space group: P 1 21/n 1
Cell volume: 3282.6
Cell parameters: 17.4149; 9.7931; 20.91; 90; 113; 90;  

COD ID: 4030330
CIF file Formula: - C21 H20 Cl N O3 -
Comments: Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors. The Journal of organic chemistry 80(1) (2014) 641
Space group: P b c a
Cell volume: 3716.21
Cell parameters: 20.8235; 7.2405; 24.6478; 90; 90; 90;  

COD ID: 4030331
CIF file Formula: - C21 H29 N2 O7 P S -
Comments: Vicario, Javier; Ortiz, Pablo; Ezpeleta, José M; Palacios, Francisco Asymmetric Synthesis of Functionalized Tetrasubstituted α-Aminophosphonates through Enantioselective Aza-Henry Reaction of Phosphorylated Ketimines. The Journal of organic chemistry 80(1) (2014) 156
Space group: P 1 21/c 1
Cell volume: 2368.85
Cell parameters: 12.90894; 15.8188; 12.3797; 90; 110.438; 90;  

COD ID: 4030332
CIF file Formula: - C20 H15 N3 O -
Comments: Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones. The Journal of organic chemistry 80(1) (2014) 482
Space group: P -1
Cell volume: 804.3
Cell parameters: 9.0361; 9.7342; 10.511; 83.842; 69.579; 68.224;  

COD ID: 4030333
CIF file Formula: - C20 H14 N3 O -
Comments: Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones. The Journal of organic chemistry 80(1) (2014) 482
Space group: P 1 21/c 1
Cell volume: 1528.9
Cell parameters: 10.534; 18.887; 8.1159; 90; 108.767; 90;  

COD ID: 4030334
CIF file Formula: - C22 H19 N O3 S -
Comments: Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles. The Journal of organic chemistry 80(1) (2014) 634
Space group: P 1 21/a 1
Cell volume: 1939.76
Cell parameters: 8.5949; 12.6279; 17.9523; 90; 95.417; 90;  

COD ID: 4030335
CIF file Formula: - C16 H18 N2 O4 -
Comments: Li, Dan-Dan; Li, Zhong-Yuan; Wang, Guan-Wu Catalyst-Free Approach to Construct C-C Bond Initiated by N-O Bond Cleavage under Thermal Conditions. The Journal of organic chemistry 80(1) (2014) 190
Space group: P 42/n :2
Cell volume: 3052.37
Cell parameters: 25.5426; 25.5426; 4.6785; 90; 90; 90;  

COD ID: 4030336
CIF file Formula: - C37 H27 Cl3 N6 O4 Pd2 -
Comments: Qiu, Renhua; Reddy, Vutukuri Prakash; Iwasaki, Takanori; Kambe, Nobuaki The Palladium-Catalyzed Intermolecular C-H Chalcogenation of Arenes. The Journal of organic chemistry 80(1) (2014) 367
Space group: P 1 21/c 1
Cell volume: 3538.66
Cell parameters: 15.7682; 15.6424; 16.4914; 90; 119.547; 90;  

COD ID: 4030365
CIF file Formula: - C25 H30 N2 O4 -
Comments: Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones. The Journal of organic chemistry 80(2) (2015) 762-769
Space group: P 21 21 21
Cell volume: 2278.5
Cell parameters: 7.4398; 16.709; 18.329; 90; 90; 90;  

COD ID: 4030366
CIF file Formula: - C23 H34 N2 O4 -
Comments: Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones. The Journal of organic chemistry 80(2) (2015) 762-769
Space group: P 1 21 1
Cell volume: 1150
Cell parameters: 7.9977; 9.4736; 15.462; 90; 101.002; 90;  

COD ID: 4030367
CIF file Formula: - C44 H26 N6 O -
Comments: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes. The Journal of organic chemistry 80(1) (2014) 499
Space group: P 1 21/c 1
Cell volume: 6159
Cell parameters: 25.595; 9.572; 25.369; 90; 97.71; 90;  

COD ID: 4030368
CIF file Formula: - C89.674 H53.935 Cl0.413 N10 Ni2 O4 -
Comments: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes. The Journal of organic chemistry 80(1) (2014) 499
Space group: C 1 2/c 1
Cell volume: 13112
Cell parameters: 30.029; 14.388; 32.622; 90; 111.519; 90;  

COD ID: 4030369
CIF file Formula: - C44 H27 N5 Ni O2 -
Comments: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes. The Journal of organic chemistry 80(1) (2014) 499
Space group: I 41/a :2
Cell volume: 3257.3
Cell parameters: 15.424; 15.424; 13.692; 90; 90; 90;  

COD ID: 4030370
CIF file Formula: - C46.13 H28.86 Cl0.68 N6 Pd -
Comments: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes. The Journal of organic chemistry 80(1) (2014) 499
Space group: P 1 21/c 1
Cell volume: 3362.95
Cell parameters: 14.6776; 7.0794; 32.3824; 90; 91.906; 90;  

COD ID: 4030371
CIF file Formula: - C24 H16 N2 O6 -
Comments: Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang; Liang, Yong-Min Metal-Free Three-Component Oxyazidation of Alkenes with Trimethylsilyl Azide and N-Hydroxyphthalimide. The Journal of organic chemistry 80(1) (2014) 290
Space group: P 1 21/n 1
Cell volume: 2066.33
Cell parameters: 8.0113; 34.7315; 8.13; 90; 114.014; 90;  

COD ID: 4030372
CIF file Formula: - C14 H18 N0 O2 -
Comments: Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols. The Journal of organic chemistry 80(1) (2014) 52
Space group: P b c a
Cell volume: 2419.3
Cell parameters: 8.4068; 11.7148; 24.5654; 90; 90; 90;  

COD ID: 4030373
CIF file Formula: - C16 H17 N O2 -
Comments: Zhu, Yuequan; Gong, Yuefa Construction of 2-Pyrone Skeleton via Domino Sequence between 2-Acyl-1-Chlorocyclopropanecarboxylate and Amines. The Journal of organic chemistry 80(1) (2014) 490
Space group: P 1 21/c 1
Cell volume: 1264.1
Cell parameters: 10.7708; 16.326; 7.5417; 90; 107.601; 90;  

COD ID: 4030374
CIF file Formula: - C23 H16 O3 -
Comments: Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes. The Journal of organic chemistry 80(1) (2014) 148
Space group: P b c a
Cell volume: 3599.56
Cell parameters: 11.9905; 8.82516; 34.0165; 90; 90; 90;  

COD ID: 4030375
CIF file Formula: - C14 H24 N2 O -
Comments: Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction. The Journal of organic chemistry 80(1) (2014) 237
Space group: P 1 21 1
Cell volume: 717.6
Cell parameters: 6.2999; 7.7215; 14.823; 90; 95.614; 90;  

COD ID: 4030376
CIF file Formula: - C16 H15 Cl N2 O2 S3 -
Comments: Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds. The Journal of organic chemistry 80(1) (2014) 30
Space group: P -1
Cell volume: 909.5
Cell parameters: 7.9; 11.409; 11.512; 63.212; 86.744; 79.229;  

COD ID: 4030377
CIF file Formula: - C28 H33 N3 O6 S3 -
Comments: Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds. The Journal of organic chemistry 80(1) (2014) 30
Space group: P 1 21/c 1
Cell volume: 9047
Cell parameters: 16.942; 14.3803; 37.907; 90; 101.603; 90;  

COD ID: 4030378
CIF file Formula: - C41 H54.91 B4 O8 -
Comments: Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B. Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity. The Journal of organic chemistry 80(1) (2014) 661
Space group: P 1 21/c 1
Cell volume: 4355.9
Cell parameters: 17.173; 12.1653; 22.267; 90; 110.548; 90;  

COD ID: 4030379
CIF file Formula: - C40 H54 B4 O8 -
Comments: Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B. Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity. The Journal of organic chemistry 80(1) (2014) 661
Space group: P 1 21/n 1
Cell volume: 1952.9
Cell parameters: 11.952; 11.32; 15.039; 90; 106.308; 90;  

COD ID: 4030380
CIF file Formula: - C9 H12 I N5 -
Comments: Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V. Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes. The Journal of organic chemistry 80(1) (2014) 375
Space group: P 1 21/n 1
Cell volume: 1123
Cell parameters: 7.1439; 13.6155; 11.9858; 90; 105.574; 90;  

COD ID: 4030381
CIF file Formula: - C15 H16 Br N5 -
Comments: Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V. Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes. The Journal of organic chemistry 80(1) (2014) 375
Space group: P 1 21/c 1
Cell volume: 3060.9
Cell parameters: 10.8441; 15.1145; 18.7318; 90; 94.449; 90;  

COD ID: 4030382
CIF file Formula: - C47.25 H44 N4 -
Comments: Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A. Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis. The Journal of organic chemistry 80(2) (2015) 872-881
Space group: P -1
Cell volume: 1795.3
Cell parameters: 11.1; 12.008; 16.129; 97.232; 104.7; 116.149;  

COD ID: 4030383
CIF file Formula: - C23 H22 N2 O -
Comments: Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A. Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis. The Journal of organic chemistry 80(2) (2015) 872-881
Space group: P 21 21 21
Cell volume: 1823.7
Cell parameters: 9.5372; 13.6718; 13.9866; 90; 90; 90;  

COD ID: 4030384
CIF file Formula: - C37 H28 N2 -
Comments: Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A. Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis. The Journal of organic chemistry 80(2) (2015) 872-881
Space group: P -1
Cell volume: 2681.9
Cell parameters: 9.2664; 14.6024; 20.5848; 100.749; 101.079; 90.815;  

COD ID: 4030385
CIF file Formula: - C23 H24 N2 -
Comments: Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A. Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis. The Journal of organic chemistry 80(2) (2015) 872-881
Space group: P 1 21/n 1
Cell volume: 1799.1
Cell parameters: 13.045; 8.467; 16.568; 90; 100.535; 90;  

COD ID: 4030386
CIF file Formula: - C24 H19 Br Cl2 O3 -
Comments: Zhao, Yi; Wong, Ying-Chieh; Yeung, Ying-Yeung An Unexpected 2,3-Dihydrofuran Derivative Ring Opening Initiated by Electrophilic Bromination: Scope and Mechanistic Study. The Journal of organic chemistry 80(1) (2014) 453
Space group: P 1 21/c 1
Cell volume: 2119.6
Cell parameters: 13.628; 13.8452; 12.256; 90; 113.57; 90;  

COD ID: 4030387
CIF file Formula: - C41 H35 Br N2 O7 -
Comments: Wang, Cong-Shuai; Zhu, Ren-Yi; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang Enantioselective Construction of Spiro[indoline-3,2'-pyrrole] Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions Using Allenes as Equivalents of Alkynes. The Journal of organic chemistry 80(1) (2014) 512
Space group: P 21 21 21
Cell volume: 3472.5
Cell parameters: 7.3188; 21.396; 22.175; 90; 90; 90;  

COD ID: 4030388
CIF file Formula: - C19 H17 Br O4 -
Comments: Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G. Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates. The Journal of organic chemistry 80(2) (2015) 806-815
Space group: P 21 21 21
Cell volume: 1698.3
Cell parameters: 5.7652; 14.062; 20.949; 90; 90; 90;  

COD ID: 4030389
CIF file Formula: - C14 H15 Br O3 -
Comments: Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G. Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates. The Journal of organic chemistry 80(2) (2015) 806-815
Space group: P 21 21 21
Cell volume: 1266
Cell parameters: 7.422; 10.122; 16.852; 90; 90; 90;  

COD ID: 4030390
CIF file Formula: - C28 H24 I3 N3 -
Comments: Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems. The Journal of organic chemistry 80(2) (2015) 882-896
Space group: C 1 2/c 1
Cell volume: 5407.3
Cell parameters: 28.5414; 6.3924; 31.3881; 90; 109.225; 90;  

COD ID: 4030391
CIF file Formula: - C36 H31 Cl3 Fe2 Si -
Comments: Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems. The Journal of organic chemistry 80(2) (2015) 882-896
Space group: P -1
Cell volume: 1608.7
Cell parameters: 7.8579; 10.9549; 19.72; 75.763; 80.428; 80.484;  

COD ID: 4030392
CIF file Formula: - C28 H24 Br3 N3 -
Comments: Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems. The Journal of organic chemistry 80(2) (2015) 882-896
Space group: P -1
Cell volume: 1279.64
Cell parameters: 7.1349; 11.2698; 16.4853; 79.288; 87.269; 79.285;  

COD ID: 4030393
CIF file Formula: - C36 H30 N2 O2 P2 -
Comments: Gao, Yuxing; Deng, Honggui; Zhang, Shanshan; Xue, Wanhua; Wu, Yile; Qiao, Hongwei; Xu, Pengxiang; Zhao, Yufen Nickel-catalyzed one-pot tandem 1,4-1,2-addition of p(o)h compounds to 1,10-phenanthrolines. The Journal of organic chemistry 80(2) (2015) 1192-1199
Space group: P 1 21/n 1
Cell volume: 3012.02
Cell parameters: 11.8271; 12.1644; 20.9525; 90; 92.288; 90;  

COD ID: 4030394
CIF file Formula: - C24 H18 N6 O2 -
Comments: Niu, Pengfei; Kang, Jinfeng; Tian, Xianhai; Song, Lina; Liu, Hongxu; Wu, Jie; Yu, Wenquan; Chang, Junbiao Synthesis of 2-Amino-1,3,4-oxadiazoles and 2-Amino-1,3,4-thiadiazoles via Sequential Condensation and I2-Mediated Oxidative C-O/C-S Bond Formation. The Journal of organic chemistry 80(2) (2014) 1018
Space group: C 1 2/c 1
Cell volume: 2745.7
Cell parameters: 22.496; 10.716; 11.564; 90; 99.96; 90;  

COD ID: 4030395
CIF file Formula: - C28 H24 O5 -
Comments: Rivero, Alexandra R.; Fernández, Israel; Ramírez de Arellano, Carmen; Sierra, Miguel A. Synthesis of Oxaspiranic Compounds through [3 + 2] Annulation of Cyclopropenones and Donor-Acceptor Cyclopropanes. The Journal of organic chemistry 80(2) (2014) 1207
Space group: P 1 21/c 1
Cell volume: 2266.89
Cell parameters: 16.357; 7.6543; 19.7358; 90; 113.449; 90;  

COD ID: 4030396
CIF file Formula: - C15 H9 F3 O3 -
Comments: Dai, Jian-Jun; Xu, Wen-Tao; Wu, Ya-Dong; Zhang, Wen-Man; Gong, Ying; He, Xia-Ping; Zhang, Xin-Qing; Xu, Hua-Jian Silver-Catalyzed C(sp(2))-H Functionalization/C-O Cyclization Reaction at Room Temperature. The Journal of organic chemistry 80(2) (2015) 911-919
Space group: P 1 21/c 1
Cell volume: 2510.4
Cell parameters: 24.1196; 4.5707; 25.3434; 90; 116.037; 90;  

COD ID: 4030397
CIF file Formula: - C22 H17 N O3 S -
Comments: Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols. The Journal of organic chemistry 80(2) (2015) 1269-1274
Space group: P -1
Cell volume: 912.3
Cell parameters: 8.799; 9.982; 10.691; 82.958; 78.274; 87.522;  

COD ID: 4030398
CIF file Formula: - C18 H14 Br N O3 S -
Comments: Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols. The Journal of organic chemistry 80(2) (2015) 1269-1274
Space group: P 1 21/c 1
Cell volume: 1688.4
Cell parameters: 16.205; 7.345; 14.907; 90; 107.902; 90;  

COD ID: 4030399
CIF file Formula: - C16 H27 Br N2 O3 -
Comments: Zheng, Xiao; Liu, Juan; Ye, Chen-Xi; Wang, Ao; Wang, Ai-E; Huang, Pei-Qiang SmI2-Mediated Radical Coupling Strategy to Securinega Alkaloids: Total Synthesis of (-)-14,15-Dihydrosecurinine and Formal Total Synthesis of (-)-Securinine. The Journal of organic chemistry 80(2) (2015) 1034-1041
Space group: P 21 21 21
Cell volume: 1806.8
Cell parameters: 6.205; 8.1355; 35.791; 90; 90; 90;  

COD ID: 4030400
CIF file Formula: - C24 H32 N2 O6 -
Comments: Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M. Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol. The Journal of organic chemistry 80(2) (2014) 1116
Space group: P 1
Cell volume: 582.53
Cell parameters: 7.2974; 8.3147; 9.969; 75.788; 83.489; 89.109;  

COD ID: 4030401
CIF file Formula: - C16 H25 N2 O -
Comments: Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M. Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol. The Journal of organic chemistry 80(2) (2014) 1116
Space group: P -1
Cell volume: 770.4
Cell parameters: 6.231; 10.287; 12.24; 88.818; 79.149; 89.56;  

COD ID: 4030402
CIF file Formula: - C24 H32 N2 O6 -
Comments: Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M. Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol. The Journal of organic chemistry 80(2) (2014) 1116
Space group: C 1 c 1
Cell volume: 2339.3
Cell parameters: 14.465; 11.3032; 15.418; 90; 111.881; 90;  

COD ID: 4030403
CIF file Formula: - C12 H21 N O2 -
Comments: Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M. Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol. The Journal of organic chemistry 80(2) (2014) 1116
Space group: C 1 2/c 1
Cell volume: 2282.9
Cell parameters: 26.445; 8.1967; 11.1501; 90; 109.17; 90;  

COD ID: 4030404
CIF file Formula: - C50 H64 O8 -
Comments: Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro 1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes. The Journal of organic chemistry 80(2) (2014) 1070
Space group: P 1 21/c 1
Cell volume: 4467
Cell parameters: 12.199; 30.881; 11.905; 90; 95.153; 90;  

COD ID: 4030405
CIF file Formula: - C50 H64 O6 -
Comments: Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro 1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes. The Journal of organic chemistry 80(2) (2014) 1070
Space group: P 4/n :2
Cell volume: 2148.9
Cell parameters: 12.793; 12.793; 13.13; 90; 90; 90;  

COD ID: 4030406
CIF file Formula: - C45.5 H57 Cl3 I2 O2 -
Comments: Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro 1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes. The Journal of organic chemistry 80(2) (2014) 1070
Space group: C 1 2/c 1
Cell volume: 4366.7
Cell parameters: 19.5977; 22.0686; 12.5591; 90; 126.494; 90;  

COD ID: 4030407
CIF file Formula: - C28 H28 Br P Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 2318.5
Cell parameters: 9.5062; 19.6014; 12.7805; 90; 103.203; 90;  

COD ID: 4030408
CIF file Formula: - C28 H28 I P Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P -1
Cell volume: 1183.34
Cell parameters: 10.0947; 10.738; 12.1614; 102.574; 108.942; 98.328;  

COD ID: 4030409
CIF file Formula: - C46 H43 B F4 P2 Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/n 1
Cell volume: 3915.08
Cell parameters: 10.13; 18.4054; 21.491; 90; 102.291; 90;  

COD ID: 4030410
CIF file Formula: - C29 H30 Br P Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 2508.63
Cell parameters: 13.3791; 9.9376; 19.0528; 90; 97.985; 90;  

COD ID: 4030411
CIF file Formula: - C51.59 H53.82 Br O0.71 P2 Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P -1
Cell volume: 2246.27
Cell parameters: 9.7334; 15.2486; 16.0612; 87.8046; 80.8502; 72.6476;  

COD ID: 4030412
CIF file Formula: - C10 H13 I O2 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P n a 21
Cell volume: 2010.64
Cell parameters: 10.1335; 6.3717; 31.1401; 90; 90; 90;  

COD ID: 4030413
CIF file Formula: - C10 H13 I O2 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 987.64
Cell parameters: 6.6232; 9.2703; 16.0938; 90; 91.834; 90;  

COD ID: 4030414
CIF file Formula: - C10 H18 O2 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 939.62
Cell parameters: 12.7135; 8.5955; 8.7809; 90; 101.702; 90;  

COD ID: 4030415
CIF file Formula: - C11 H16 O4 S -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 21 21 21
Cell volume: 1102.97
Cell parameters: 6.4001; 8.8476; 19.4784; 90; 90; 90;  

COD ID: 4030416
CIF file Formula: - C24 H27 O3 P -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P -1
Cell volume: 999.4
Cell parameters: 7.2398; 9.5416; 14.6831; 90.04; 81.463; 85.164;  

COD ID: 4030417
CIF file Formula: - C17 H18 N4 O4 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 1576.47
Cell parameters: 10.548; 20.8588; 7.67; 90; 110.904; 90;  

COD ID: 4030418
CIF file Formula: - C30 H30 Br P Pd -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk Synthetic Studies toward Polytwistane Hydrocarbon Nanorods. The Journal of organic chemistry 80(4) (2015) 2042-2055
Space group: P 1 21/c 1
Cell volume: 2450.48
Cell parameters: 10.0125; 19.3538; 13.1438; 90; 105.824; 90;  

COD ID: 4030449
CIF file Formula: - C19 H17 N O4 S -
Comments: Webster, S.; Young, P. C.; Barker, G.; Rosair, G. M.; Lee, A.-L. Dehydrative Thiolation of Allenols: Indium vs Gold Catalysis. The Journal of organic chemistry 80(3) (2015) 1703-1718
Space group: P -1
Cell volume: 869.2
Cell parameters: 9.6997; 9.9793; 10.2055; 66.838; 73.565; 80.221;  

COD ID: 4030450
CIF file Formula: - C23 H17 N3 O -
Comments: Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K. Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones. The Journal of organic chemistry 80(3) (2015) 1375-1386
Space group: P 1 21/n 1
Cell volume: 1720.1
Cell parameters: 5.2976; 17.593; 18.456; 90; 90.178; 90;  

COD ID: 4030451
CIF file Formula: - C22 H16 N4 O -
Comments: Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K. Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones. The Journal of organic chemistry 80(3) (2015) 1375-1386
Space group: P 1 21/c 1
Cell volume: 1823
Cell parameters: 8.27; 20.421; 10.817; 90; 93.676; 90;  

COD ID: 4030452
CIF file Formula: - C31 H31 Br N2 O2 -
Comments: Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K. Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones. The Journal of organic chemistry 80(3) (2015) 1375-1386
Space group: P -1
Cell volume: 1290
Cell parameters: 11.354; 11.372; 12.317; 63.176; 76.23; 65.626;  

COD ID: 4030453
CIF file Formula: - C22 H14 O3 -
Comments: Yan, Kelu; Yang, Daoshan; Wei, Wei; Wang, Fen; Shuai, Yuanyuan; Li, Qiannan; Wang, Hua Silver-Mediated Radical Cyclization of Alkynoates and α-Keto Acids Leading to Coumarins via Cascade Double C-C Bond Formation. The Journal of organic chemistry 80(3) (2015) 1550-1556
Space group: P -1
Cell volume: 812.6
Cell parameters: 9.696; 10.159; 10.316; 61.424; 78.793; 65.588;  

COD ID: 4030454
CIF file Formula: - C21 H24 Br N O6 -
Comments: Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes. The Journal of organic chemistry 80(3) (2015) 1985-1992
Space group: P -1
Cell volume: 2181.9
Cell parameters: 8.7911; 12.5062; 21.034; 104.678; 101.109; 93.165;  

COD ID: 4030455
CIF file Formula: - C25 H23 Br2 N O5 -
Comments: Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes. The Journal of organic chemistry 80(3) (2015) 1985-1992
Space group: C 1 2 1
Cell volume: 2428.9
Cell parameters: 22.299; 9.1978; 15.934; 90; 131.994; 90;  

COD ID: 4030456
CIF file Formula: - C26 H26 Br N O6 -
Comments: Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes. The Journal of organic chemistry 80(3) (2015) 1985-1992
Space group: P 1 21 1
Cell volume: 1194.16
Cell parameters: 10.1214; 7.5832; 16.0129; 90; 103.682; 90;  

COD ID: 4030457
CIF file Formula: - C23 H28 Br N O5 -
Comments: Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes. The Journal of organic chemistry 80(3) (2015) 1985-1992
Space group: P 1 21/c 1
Cell volume: 2354.97
Cell parameters: 15.5689; 12.3293; 12.3519; 90; 96.665; 90;  

COD ID: 4030458
CIF file Formula: - C17 H11 F8 N -
Comments: Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M. Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene. The Journal of organic chemistry 80(3) (2015) 1523-1532
Space group: P 1 21/c 1
Cell volume: 1510
Cell parameters: 12.154; 9.965; 12.74; 90; 101.872; 90;  

COD ID: 4030459
CIF file Formula: - C21 H12 F8 O -
Comments: Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M. Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene. The Journal of organic chemistry 80(3) (2015) 1523-1532
Space group: P 1 21/c 1
Cell volume: 1738
Cell parameters: 9.8175; 13.2951; 13.3177; 90; 90.978; 90;  

COD ID: 4030460
CIF file Formula: - C18 H24 F2 N2 O5 -
Comments: Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives. The Journal of organic chemistry 80(3) (2015) 1964-1971
Space group: P n a 21
Cell volume: 2077
Cell parameters: 11.9085; 17.1795; 10.1524; 90; 90; 90;  

COD ID: 4030461
CIF file Formula: - C15 H18 Cl3 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P 1 21 1
Cell volume: 1765.1
Cell parameters: 11.7835; 11.5305; 13.3166; 90; 102.697; 90;  

COD ID: 4030462
CIF file Formula: - C16 H20 Cl3 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: C 1 2/c 1
Cell volume: 3600.9
Cell parameters: 20.15; 5.8861; 30.578; 90; 96.832; 90;  

COD ID: 4030463
CIF file Formula: - C17 H22 Cl3 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P -1
Cell volume: 971.2
Cell parameters: 6.01; 10.244; 16.192; 92.954; 91.751; 102.466;  

COD ID: 4030464
CIF file Formula: - C17 H22 Cl3 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: C 1 2 1
Cell volume: 1908.3
Cell parameters: 20.259; 5.923; 17.597; 90; 115.345; 90;  

COD ID: 4030465
CIF file Formula: - C16 H21 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P 21 21 21
Cell volume: 6208.6
Cell parameters: 11.1849; 11.7522; 47.233; 90; 90; 90;  

COD ID: 4030466
CIF file Formula: - C10 H11 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P 21 21 21
Cell volume: 1020.9
Cell parameters: 6.364; 12.235; 13.112; 90; 90; 90;  

COD ID: 4030467
CIF file Formula: - C18 H24 Cl3 N O4 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P -1
Cell volume: 1055.4
Cell parameters: 6.036; 10.487; 17.295; 92.01; 92.12; 105.04;  

COD ID: 4030468
CIF file Formula: - C22 H24 Cl3 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P b c a
Cell volume: 4680.9
Cell parameters: 9.746; 21.034; 22.8338; 90; 90; 90;  

COD ID: 4030469
CIF file Formula: - C20 H22 N2 O4 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P 1 21/c 1
Cell volume: 1876.1
Cell parameters: 14.712; 11.439; 11.175; 90; 94; 90;  

COD ID: 4030470
CIF file Formula: - C17 H23 N O3 S -
Comments: Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes. The Journal of organic chemistry 80(3) (2015) 1414-1426
Space group: P 1 21 1
Cell volume: 827.5
Cell parameters: 10.489; 7.978; 10.912; 90; 115.008; 90;  

COD ID: 4030471
CIF file Formula: - C22 H25 Cl Ir N3 -
Comments: Wu, Yunxiang; Yang, Yaxi; Zhou, Bing; Li, Yuanchao Iridium(III)-Catalyzed C-7 Selective C-H Alkynylation of Indolines at Room Temperature. The Journal of organic chemistry 80(3) (2015) 1946-1951
Space group: P -1
Cell volume: 1000.88
Cell parameters: 8.299; 10.7164; 11.8135; 95.36; 91.437; 106.618;  

COD ID: 4030472
CIF file Formula: - C78 H10 O -
Comments: Chang, Wei-Wei; Li, Zong-Jun; He, Fa-Gui; Sun, Tao; Gao, Xiang Electronic vs Steric Effects on the Stability of Anionic Species: A Case Study on the Ortho and Para Regioisomers of Organofullerenes. The Journal of organic chemistry 80(3) (2015) 1557-1563
Space group: P 1 21/c 1
Cell volume: 3804.2
Cell parameters: 10.9318; 17.8483; 20.0007; 90; 102.883; 90;  

COD ID: 4030473
CIF file Formula: - C74 H62 Br2 Cl2 N6 O4 -
Comments: Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles. The Journal of organic chemistry 80(3) (2015) 1841-1848
Space group: P 1 21 1
Cell volume: 1573.16
Cell parameters: 9.0626; 14.5164; 12.4684; 90; 106.449; 90;  

COD ID: 4030536
CIF file Formula: - C23 H38 O4 -
Comments: Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues. The Journal of organic chemistry 80(2) (2014) 836
Space group: C 1 2/c 1
Cell volume: 4357.1
Cell parameters: 32.0238; 16.1168; 8.624; 90; 101.794; 90;  

COD ID: 4030537
CIF file Formula: - C21 H34 O5 -
Comments: Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues. The Journal of organic chemistry 80(2) (2014) 836
Space group: P b c n
Cell volume: 4120.2
Cell parameters: 23.5047; 13.3187; 13.1615; 90; 90; 90;  

COD ID: 4030538
CIF file Formula: - C29 H31 N O5 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 1 21 1
Cell volume: 1249.94
Cell parameters: 5.8763; 9.3567; 22.8256; 90; 95.152; 90;  

COD ID: 4030539
CIF file Formula: - C20 H32 N2 O8 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 21 21 21
Cell volume: 2271.7
Cell parameters: 9.2798; 11.1028; 22.049; 90; 90; 90;  

COD ID: 4030540
CIF file Formula: - C18 H23 N O5 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 21 21 21
Cell volume: 3402.1
Cell parameters: 6.1419; 20.457; 27.077; 90; 90; 90;  

COD ID: 4030541
CIF file Formula: - C25 H29 N O5 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 1 21 1
Cell volume: 1114.5
Cell parameters: 9.66; 10.965; 10.599; 90; 96.916; 90;  

COD ID: 4030542
CIF file Formula: - C18 H23 N O5 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 21 21 21
Cell volume: 1655.7
Cell parameters: 5.906; 9.576; 29.275; 90; 90; 90;  

COD ID: 4030543
CIF file Formula: - C10 H17 N O4 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 21 21 21
Cell volume: 1041.52
Cell parameters: 7.6184; 9.1016; 15.0206; 90; 90; 90;  

COD ID: 4030544
CIF file Formula: - C21 H27 N O6 -
Comments: Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. The Journal of organic chemistry 80(2) (2014) 1136
Space group: P 1 21 1
Cell volume: 1002.3
Cell parameters: 12.804; 5.996; 13.75; 90; 108.29; 90;  

COD ID: 4030545
CIF file Formula: - C21 H28 O Si -
Comments: Mori-Quiroz, Luis M; Maleczka, Jr, Robert E Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways. The Journal of organic chemistry 80(2) (2015) 1163
Space group: P 1 21/c 1
Cell volume: 1831.32
Cell parameters: 9.9503; 8.1458; 22.6084; 90; 92.043; 90;  

COD ID: 4030546
CIF file Formula: - C21 H24 N2 O6 Si -
Comments: Mori-Quiroz, Luis M; Maleczka, Jr, Robert E Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways. The Journal of organic chemistry 80(2) (2015) 1163
Space group: P 21 21 21
Cell volume: 2160.2
Cell parameters: 6.6788; 9.7813; 33.0675; 90; 90; 90;  

COD ID: 4030547
CIF file Formula: - C19 H22 F2 O2 -
Comments: Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization. The Journal of organic chemistry 80(2) (2015) 816-827
Space group: P 21 21 21
Cell volume: 1604.07
Cell parameters: 6.0115; 7.0059; 38.087; 90; 90; 90;  

COD ID: 4030548
CIF file Formula: - C30 H32 O -
Comments: Zhang, Feng-Zhi; Tian, Yan; Li, Guo-Xing; Qu, Jin Intramolecular Etherification and Polyene Cyclization of π-Activated Alcohols Promoted by Hot Water. The Journal of organic chemistry 80(2) (2015) 1107
Space group: P -1
Cell volume: 1145.9
Cell parameters: 9.0305; 10.168; 13.691; 110.45; 97.33; 97.85;  

COD ID: 4030549
CIF file Formula: - C21 H16 N O2 S -
Comments: Seo, Boram; Jeon, Woo Hyung; Kim, Jaeeun; Kim, Sunghwa; Lee, Phil Ho Synthesis of Fluorenes via Tandem Copper-Catalyzed [3 + 2] Cycloaddition and Rhodium-Catalyzed Denitrogenative Cyclization in a 5-Exo Mode from 2-Ethynylbiaryls and N-Sulfonyl Azides in One Pot. The Journal of organic chemistry 80(2) (2014) 722
Space group: P 21 21 21
Cell volume: 1718.58
Cell parameters: 8.4181; 10.6238; 19.2166; 90; 90; 90;  

COD ID: 4030550
CIF file Formula: - C15 H24 N O5 P -
Comments: Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich Phosphonate-Phosphinate Rearrangement. The Journal of organic chemistry 80(2) (2015) 1082
Space group: P 21 21 21
Cell volume: 1671.35
Cell parameters: 8.1416; 12.3151; 16.6694; 90; 90; 90;  

COD ID: 4030551
CIF file Formula: - C15 H24 N O5 P -
Comments: Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich Phosphonate-Phosphinate Rearrangement. The Journal of organic chemistry 80(2) (2015) 1082
Space group: P 21 21 21
Cell volume: 1666.83
Cell parameters: 6.146; 9.9844; 27.163; 90; 90; 90;  

COD ID: 4030552
CIF file Formula: - C14 H28 N O6 P -
Comments: Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich Phosphonate-Phosphinate Rearrangement. The Journal of organic chemistry 80(2) (2015) 1082
Space group: P 1 21/c 1
Cell volume: 1843.3
Cell parameters: 11.9276; 13.603; 11.5725; 90; 100.976; 90;  

COD ID: 4030553
CIF file Formula: - C17 H26 N O5 P -
Comments: Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich Phosphonate-Phosphinate Rearrangement. The Journal of organic chemistry 80(2) (2015) 1082
Space group: P 1 21/c 1
Cell volume: 3631.4
Cell parameters: 16.62; 12.9107; 18.0311; 90; 110.184; 90;  

COD ID: 4030554
CIF file Formula: - C16 H18 O S -
Comments: Ruppenthal, Simon; Brückner, Reinhard Symmetric Diarylsulfoxides as Asymmetric Sulfinylating Reagents for Dialkylmagnesium Compounds. The Journal of organic chemistry 80(2) (2014) 897
Space group: P 1 21 1
Cell volume: 1373.65
Cell parameters: 11.4665; 7.6859; 16.067; 90; 104.046; 90;  

COD ID: 4030555
CIF file Formula: - C21 H22 N2 O -
Comments: Wang, Peng-Fei; Jiang, Chun-Huan; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin C-H Bond Functionalization via [1,5]-Hydride Shift/Cyclization Sequence: Approach to Spiroindolenines. The Journal of organic chemistry 80(2) (2015) 1155
Space group: P 1 21/c 1
Cell volume: 1710.2
Cell parameters: 9.457; 12.543; 14.467; 90; 94.72; 90;  

COD ID: 4030556
CIF file Formula: - C20 H23 N3 O -
Comments: Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond. The Journal of organic chemistry 80(2) (2015) 1025
Space group: P -1
Cell volume: 873.6
Cell parameters: 7.9118; 9.9589; 12.639; 69.83; 86.015; 69.41;  

COD ID: 4030557
CIF file Formula: - C21 H19 N3 O S -
Comments: Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond. The Journal of organic chemistry 80(2) (2015) 1025
Space group: P 1 21/c 1
Cell volume: 1869.2
Cell parameters: 15.1376; 6.8224; 18.6237; 90; 103.629; 90;  

COD ID: 4030558
CIF file Formula: - C19 H14 Br N3 O2 -
Comments: Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond. The Journal of organic chemistry 80(2) (2015) 1025
Space group: P 1 21/c 1
Cell volume: 1672.1
Cell parameters: 13.3184; 7.1606; 17.5832; 90; 94.31; 90;  

COD ID: 4030559
CIF file Formula: - C11 H11 N3 -
Comments: Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine. The Journal of organic chemistry 80(3) (2015) 1789-1794
Space group: P b c a
Cell volume: 1910.5
Cell parameters: 9.8175; 10.663; 18.25; 90; 90; 90;  

COD ID: 4030560
CIF file Formula: - C44.8 H23.59 Br2 Cl1.59 O2 -
Comments: Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V. Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones. The Journal of organic chemistry 80(3) (2015) 1618-1631
Space group: P -1
Cell volume: 1727.97
Cell parameters: 9.5559; 13.1086; 15.3621; 105.124; 102.639; 103.148;  

COD ID: 4030561
CIF file Formula: - C50 H26 N2 O2 -
Comments: Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V. Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones. The Journal of organic chemistry 80(3) (2015) 1618-1631
Space group: P 1 21/c 1
Cell volume: 3360.4
Cell parameters: 11.5675; 24.3565; 12.0597; 90; 98.503; 90;  

COD ID: 4030562
CIF file Formula: - C20 H16 O2 -
Comments: Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V. Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones. The Journal of organic chemistry 80(3) (2015) 1618-1631
Space group: P 1 21/c 1
Cell volume: 1435.8
Cell parameters: 9.275; 18.499; 8.4499; 90; 97.966; 90;  

COD ID: 4030563
CIF file Formula: - C21 H16 N2 O3 -
Comments: Rao, H. Surya Prakash; Rao, A. Veera Bhadra Copper-Catalyzed C(sp(3))-OH Cleavage with Concomitant C-C Coupling: Synthesis of 3-Substituted Isoindolinones. The Journal of organic chemistry 80(3) (2015) 1506-1516
Space group: P -1
Cell volume: 837.76
Cell parameters: 7.4641; 10.1247; 11.5543; 93.217; 105.398; 93.602;  

COD ID: 4030564
CIF file Formula: - C17 H20 O5 -
Comments: Njiojob, Costyl N.; Rhinehart, Jennifer L.; Bozell, Joseph J.; Long, Brian K. Synthesis of enantiomerically pure lignin dimer models for catalytic selectivity studies. The Journal of organic chemistry 80(3) (2015) 1771-1780
Space group: P 21 21 21
Cell volume: 1474.25
Cell parameters: 4.8196; 12.2685; 24.9326; 90; 90; 90;  

COD ID: 4030565
CIF file Formula: - C10 H10 N2 S2 -
Comments: Aruri, Hariprasad; Singh, Umed; Sharma, Sumit; Gudup, Satish; Bhogal, Mukesh; Kumar, Sanjay; Singh, Deepika; Gupta, Vivek K.; Kant, Rajni; Vishwakarma, Ram A.; Singh, Parvinder Pal Cross-Dehydrogenative Coupling of Azoles with α-C(sp(3))-H of Ethers and Thioethers under Metal-Free Conditions: Functionalization of H-N Azoles via C-H Activation. The Journal of organic chemistry 80(3) (2015) 1929-1936
Space group: P 1 21/c 1
Cell volume: 1008.29
Cell parameters: 9.656; 8.9641; 11.7189; 90; 96.272; 90;  

COD ID: 4030566
CIF file Formula: - C13 H15 F3 O1.25 -
Comments: Mandhapati, Appi Reddy; Kato, Takayuki; Matsushita, Takahiko; Ksebati, Bashar; Vasella, Andrea; Böttger, Erik C; Crich, David Fluorine-decoupled carbon spectroscopy for the determination of configuration at fully substituted, trifluoromethyl- and perfluoroalkyl-bearing carbons: comparison with (19)f-(1)h heteronuclear overhauser effect spectroscopy. The Journal of organic chemistry 80(3) (2015) 1754-1763
Space group: P -1
Cell volume: 1178.9
Cell parameters: 9.3527; 10.9033; 11.9661; 100.759; 99.8; 91.703;  

COD ID: 4030567
CIF file Formula: - C83 H43 Cl9 F8 N8 -
Comments: Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter Quinoxaline-Based Cyclo(oligophenylenes). The Journal of organic chemistry 80(4) (2015) 2425-2430
Space group: P 1 21/n 1
Cell volume: 7409
Cell parameters: 19.293; 10.8085; 36.754; 90; 104.829; 90;  

COD ID: 4030568
CIF file Formula: - C63 H39 Cl9 N6 -
Comments: Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter Quinoxaline-Based Cyclo(oligophenylenes). The Journal of organic chemistry 80(4) (2015) 2425-2430
Space group: P -1
Cell volume: 2759.5
Cell parameters: 13.7108; 13.7888; 17.7891; 89.424; 70.125; 62.429;  

COD ID: 4030569
CIF file Formula: - C18 H17 N3 O -
Comments: Díaz, Jimena E; Vanthuyne, Nicolas; Rispaud, Hélène; Roussel, Christian; Vega, Daniel; Orelli, Liliana R. Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size and substituents on the enantiomerization barriers. The Journal of organic chemistry 80(3) (2015) 1689-1695
Space group: P 1 21/c 1
Cell volume: 1432.9
Cell parameters: 12.5837; 7.4112; 15.494; 90; 97.412; 90;  

COD ID: 4030570
CIF file Formula: - C94.5 H102.25 N Si3 -
Comments: Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan Synthesis and properties of arylvinylidene-bridged triphenylamines. The Journal of organic chemistry 80(4) (2015) 2418-2424
Space group: P -1
Cell volume: 16201.4
Cell parameters: 20.0898; 29.1629; 30.126; 93.1848; 103.524; 107.635;  

COD ID: 4030571
CIF file Formula: - C78 H69 N O6 S3 -
Comments: Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan Synthesis and properties of arylvinylidene-bridged triphenylamines. The Journal of organic chemistry 80(4) (2015) 2418-2424
Space group: P b c a
Cell volume: 17020.3
Cell parameters: 30.7925; 16.2373; 34.0415; 90; 90; 90;  

COD ID: 4030572
CIF file Formula: - C101 H109 N O4 S3 Si3 -
Comments: Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan Synthesis and properties of arylvinylidene-bridged triphenylamines. The Journal of organic chemistry 80(4) (2015) 2418-2424
Space group: P n m a
Cell volume: 8783.9
Cell parameters: 21.924; 37.2892; 10.7444; 90; 90; 90;  

COD ID: 4030573
CIF file Formula: - C37 H25 B F15 N Si2 -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: P -1
Cell volume: 1862.52
Cell parameters: 10.4022; 13.0301; 14.716; 109.281; 95.936; 93.636;  

COD ID: 4030574
CIF file Formula: - C37 H25 B F15 N Si2 -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: P 1 21/c 1
Cell volume: 7309.5
Cell parameters: 19.0787; 12.0494; 34.269; 90; 111.9; 90;  

COD ID: 4030575
CIF file Formula: - C22 H18 F5 N O Si -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: P 1 21/c 1
Cell volume: 1967.22
Cell parameters: 13.0052; 7.3635; 20.9912; 90; 101.869; 90;  

COD ID: 4030576
CIF file Formula: - C20 H21 F5 O S Si2 -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: C 1 2/c 1
Cell volume: 4373.6
Cell parameters: 24.4029; 6.2523; 29.3312; 90; 102.229; 90;  

COD ID: 4030577
CIF file Formula: - C33 H21 B F15 N Si2 -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: P 1 2/c 1
Cell volume: 7398.4
Cell parameters: 23.8836; 10.9631; 29.7545; 90; 108.263; 90;  

COD ID: 4030578
CIF file Formula: - C33 H21 B F15 N Si2 -
Comments: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. The Journal of organic chemistry 80(4) (2015) 2240-2248
Space group: P 1 21/c 1
Cell volume: 3319.59
Cell parameters: 14.2884; 10.0454; 23.209; 90; 94.795; 90;  

COD ID: 4030579
CIF file Formula: - C19 H16 O2 -
Comments: Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Chen, Zhen-Feng; Huang, Ke-Bin Regioselective palladium-catalyzed decarboxylative cross-coupling reaction of alkenyl acids with coumarins: synthesis of 3-styrylcoumarin compounds. The Journal of organic chemistry 80(4) (2015) 2407-2412
Space group: P 1 21/c 1
Cell volume: 1425.9
Cell parameters: 14.518; 6.084; 20.729; 90; 128.85; 90;  

COD ID: 4030580
CIF file Formula: - C11 H17 O2 P -
Comments: Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał Reduction of Functionalized Tertiary Phosphine Oxides with BH3. The Journal of organic chemistry 80(3) (2015) 1672-1688
Space group: P 21 21 21
Cell volume: 1147.1
Cell parameters: 6.195; 9.737; 19.016; 90; 90; 90;  

COD ID: 4030581
CIF file Formula: - C22 H30 N2 O2 S -
Comments: Kim, Jinho; Stahl, Shannon S. Cu-Catalyzed Aerobic Oxidative Three-Component Coupling Route to N-Sulfonyl Amidines via an Ynamine Intermediate. The Journal of organic chemistry 80(4) (2015) 2448-2454
Space group: P 1 21/n 1
Cell volume: 2082.6
Cell parameters: 8.2615; 10.9454; 23.208; 90; 97.076; 90;  

COD ID: 4030582
CIF file Formula: - C52 H48 N2 -
Comments: Diner, Colin; Scott, David E.; Tykwinski, Rik R.; Gray, Murray R.; Stryker, Jeffrey M. Scalable, chromatography-free synthesis of alkyl-tethered pyrene-based materials. Application to first-generation "archipelago model" asphaltene compounds. The Journal of organic chemistry 80(3) (2015) 1719-1726
Space group: P 1 21/n 1
Cell volume: 3681.9
Cell parameters: 9.0178; 8.8539; 46.2151; 90; 93.785; 90;  

COD ID: 4030583
CIF file Formula: - C11 H12 N2 O2 -
Comments: Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P. "Catch-and-Release" of HNO with Pyrazolones. The Journal of organic chemistry 80(3) (2015) 1338-1348
Space group: P -1
Cell volume: 508.51
Cell parameters: 6.9967; 8.5345; 9.7334; 110.752; 94.833; 106.902;  

COD ID: 4030584
CIF file Formula: - C18 H20 F2 O2 -
Comments: Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds. The Journal of organic chemistry 80(3) (2015) 1577-1592
Space group: P 4/n
Cell volume: 3226
Cell parameters: 17.043; 17.043; 11.1065; 90; 90; 90;  

COD ID: 4030585
CIF file Formula: - C16 H14 F2 O3 S -
Comments: Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds. The Journal of organic chemistry 80(3) (2015) 1577-1592
Space group: P 1 21/c 1
Cell volume: 1496.8
Cell parameters: 6.6313; 10.6643; 21.166; 90; 90.379; 90;  

COD ID: 4030586
CIF file Formula: - C23 H23 F O2 -
Comments: Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds. The Journal of organic chemistry 80(3) (2015) 1577-1592
Space group: P 1 21/n 1
Cell volume: 1774.4
Cell parameters: 9.5872; 19.0689; 9.796; 90; 97.789; 90;  

COD ID: 4030587
CIF file Formula: - C16 H14 F2 O3 S -
Comments: Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds. The Journal of organic chemistry 80(3) (2015) 1577-1592
Space group: P -1
Cell volume: 765.76
Cell parameters: 8.5636; 9.5609; 10.2957; 75.98; 75.691; 72.424;  

COD ID: 4030588
CIF file Formula: - C40 H32 Br N O4 S -
Comments: Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts. The Journal of organic chemistry 80(3) (2015) 1727-1734
Space group: P 21 21 21
Cell volume: 3190.7
Cell parameters: 10.1133; 13.543; 23.296; 90; 90; 90;  

COD ID: 4030589
CIF file Formula: - C44 H40 Br N O6 S -
Comments: Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts. The Journal of organic chemistry 80(3) (2015) 1727-1734
Space group: P -1
Cell volume: 3792.1
Cell parameters: 13.021; 13.5047; 22.336; 95.904; 103.415; 92.267;  

COD ID: 4030590
CIF file Formula: - C18 H28 N O8 P -
Comments: Bera, Kalisankar; Namboothiri, Irishi N. N. Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates. The Journal of organic chemistry 80(3) (2015) 1402-1413
Space group: P 21 21 21
Cell volume: 2104.49
Cell parameters: 6.9842; 8.328; 36.1818; 90; 90; 90;  

COD ID: 4030591
CIF file Formula: - C15 H21 Br N O6 P -
Comments: Bera, Kalisankar; Namboothiri, Irishi N. N. Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates. The Journal of organic chemistry 80(3) (2015) 1402-1413
Space group: P 1 21 1
Cell volume: 875.7
Cell parameters: 10.158; 6.593; 13.228; 90; 98.716; 90;  

COD ID: 4030592
CIF file Formula: - C17 H18 O6 S -
Comments: Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation. The Journal of organic chemistry 80(3) (2015) 1735-1745
Space group: P 21 21 21
Cell volume: 1507
Cell parameters: 12.68; 19.14; 6.208; 90; 90; 90;  

COD ID: 4030593
CIF file Formula: - C26 H37 Cl O6 S Si -
Comments: Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation. The Journal of organic chemistry 80(3) (2015) 1735-1745
Space group: P 1
Cell volume: 692.65
Cell parameters: 8.1853; 8.4902; 10.5848; 94.6382; 108.843; 91.7329;  

COD ID: 4030594
CIF file Formula: - C34 H42 N2 O8 S -
Comments: Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade Reactions To Form Densely Functionalized Pyrrolidines. The Journal of organic chemistry 80(3) (2015) 2024-2031
Space group: P -1
Cell volume: 1718.1
Cell parameters: 11.8115; 12.0852; 13.2004; 94.688; 106.38; 105.365;  

COD ID: 4030595
CIF file Formula: - C14 H11 Br N2 -
Comments: Mahesh, Devulapally; Sadhu, Pradeep; Punniyamurthy, Tharmalingam Copper(I)-Catalyzed Regioselective Amination of N-Aryl Imines Using TMSN3 and TBHP: A Route to Substituted Benzimidazoles. The Journal of organic chemistry 80(3) (2015) 1644-1650
Space group: P -1
Cell volume: 1244.63
Cell parameters: 9.605; 9.8138; 13.498; 92.198; 101.769; 90.037;  

COD ID: 4030596
CIF file Formula: - C13 H19 B O2 S -
Comments: Civit, Marc G.; Sanz, Xavier; Vogels, Christopher M.; Webb, Jonathan D.; Geier, Stephen J.; Decken, Andreas; Bo, Carles; Westcott, Stephen A.; Fernández, Elena Thioboration of α,β-Unsaturated Ketones and Aldehydes toward the Synthesis of β-Sulfido Carbonyl Compounds. The Journal of organic chemistry 80(4) (2015) 2148-2154
Space group: P 1 21/n 1
Cell volume: 1354.6
Cell parameters: 8.795; 8.642; 17.912; 90; 95.751; 90;  

COD ID: 4030597
CIF file Formula: - C17 H16 Br N O3 -
Comments: Zhou, Yirong; Yang, Qin; Shen, Jian; Chen, Xin; Peng, Yiyuan; Gong, Yuefa Merging asymmetric Henry reaction with organocatalytic cascade reaction for the construction of a chiral indolizidine alkaloid skeleton. The Journal of organic chemistry 80(3) (2015) 1446-1456
Space group: P 1 21 1
Cell volume: 1582
Cell parameters: 10.1519; 11.209; 14.0068; 90; 97; 90;  

COD ID: 4030598
CIF file Formula: - C9 H5 Cl I N O -
Comments: Chen, Wenwen; Zhang, Jianlan; Wang, Bo; Zhao, Zhouxing; Wang, Xinyan; Hu, Yuefei Tandem Synthesis of 3-Chloro-4-iodoisoxazoles from 1-Copper(I) Alkynes, Dichloroformaldoxime, and Molecular Iodine. The Journal of organic chemistry 80(4) (2015) 2413-2417
Space group: P 1 21/n 1
Cell volume: 999.2
Cell parameters: 7.349; 7.076; 19.278; 90; 94.651; 90;  

COD ID: 4030599
CIF file Formula: - C23 H35 N3 O2 S -
Comments: Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones. The Journal of organic chemistry 80(3) (2015) 1533-1549
Space group: P 21 21 21
Cell volume: 2287.34
Cell parameters: 8.7897; 9.3515; 27.8276; 90; 90; 90;  

COD ID: 4030600
CIF file Formula: - C24 H35 N3 O2 -
Comments: Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones. The Journal of organic chemistry 80(3) (2015) 1533-1549
Space group: P 65
Cell volume: 3614.4
Cell parameters: 17.4169; 17.4169; 13.7581; 90; 90; 120;  

COD ID: 4030601
CIF file Formula: - C24 H27 N3 O2 -
Comments: Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones. The Journal of organic chemistry 80(3) (2015) 1533-1549
Space group: P 21 21 21
Cell volume: 2135.18
Cell parameters: 4.8715; 13.7364; 31.9079; 90; 90; 90;  

COD ID: 4030602
CIF file Formula: - C13 H15 N3 O4 -
Comments: Guthrie, Daryl A.; Nourian, Saghar; Takahashi, Cyrus G.; Toscano, John P. Curtailing the Hydroxylaminobarbituric Acid-Hydantoin Rearrangement To Favor HNO Generation. The Journal of organic chemistry 80(3) (2015) 1349-1356
Space group: P 1 21/c 1
Cell volume: 4312.69
Cell parameters: 15.08539; 22.7205; 12.63479; 90; 95.2052; 90;  

COD ID: 4030611
CIF file Formula: - C11 H13 F N2 O5 -
Comments: Clarkson, Rob; Komsta, Zofia; Mayes, Benjamin A.; Moussa, Adel; Shelbourne, Montserrat; Stewart, Alistair; Tyrrell, Andrew J.; Wallis, Laura L.; Weymouth-Wilson, Alexander C Synthesis of 2,3-Dideoxy-2-fluoro-2,3-endo-methylene- and 2,3-Dideoxy-2-fluoro-3-C-hydroxymethyl-2,3-endo-methylene-pentofuranoses and Their Use in the Preparation of Conformationally Locked Bicyclic Nucleosides. The Journal of organic chemistry 80(4) (2015) 2198-2215
Space group: P -1
Cell volume: 575.45
Cell parameters: 7.235; 7.7188; 10.6228; 92.941; 94.611; 102.675;  

COD ID: 4030612
CIF file Formula: - C11 H17 Br N2 O2 -
Comments: Huber, Tatjana; Kaiser, Daniel; Rickmeier, Jens; Magauer, Thomas Experimental Studies on the Selective β-C-H Halogenation of Enones. The Journal of organic chemistry 80(4) (2015) 2281-2294
Space group: P -1
Cell volume: 656.4
Cell parameters: 5.909; 9.42; 12.251; 97.002; 92.212; 103.538;  

COD ID: 4030613
CIF file Formula: - C21 H13 Cl2 N O -
Comments: Song, Xian-Rong; Qiu, Yi-Feng; Song, Bo; Hao, Xin-Hua; Han, Ya-Ping; Gao, Pin; Liu, Xue-Yuan; Liang, Yong-Min BF3·Et2O-Promoted Cleavage of the Csp-Csp2 Bond of 2-Propynolphenols/Anilines: Route to C2-Alkenylated Benzoxazoles and Benzimidazoles. The Journal of organic chemistry 80(4) (2015) 2263-2271
Space group: P 1 21/n 1
Cell volume: 1704.55
Cell parameters: 15.3129; 6.1061; 18.3965; 90; 97.713; 90;  

COD ID: 4030647
CIF file Formula: - C36 H30 O4 S2 -
Comments: Takeda, Takashi; Akutagawa, Tomoyuki Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues. The Journal of organic chemistry 80(4) (2015) 2455-2461
Space group: P 1 21/c 1
Cell volume: 1484.51
Cell parameters: 15.5917; 6.83809; 14.0291; 90; 97.0284; 90;  

COD ID: 4030648
CIF file Formula: - C12 H11 N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P n a 21
Cell volume: 1099.32
Cell parameters: 15.7337; 7.0498; 9.911; 90; 90; 90;  

COD ID: 4030649
CIF file Formula: - C17 H21 N3 O5 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P b c a
Cell volume: 3361.06
Cell parameters: 14.4847; 14.2985; 16.2284; 90; 90; 90;  

COD ID: 4030650
CIF file Formula: - C12 H13 N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/c 1
Cell volume: 1186.61
Cell parameters: 13.2661; 8.4355; 11.2895; 90; 110.075; 90;  

COD ID: 4030651
CIF file Formula: - C19 H17 N3 O3 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/c 1
Cell volume: 1677.5
Cell parameters: 13.9795; 8.4328; 14.2374; 90; 91.868; 90;  

COD ID: 4030652
CIF file Formula: - C22 H23 N3 O5 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/n 1
Cell volume: 2044.76
Cell parameters: 8.5834; 14.8435; 16.2877; 90; 99.823; 90;  

COD ID: 4030653
CIF file Formula: - C18 H14 N4 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: C 1 c 1
Cell volume: 1601.97
Cell parameters: 10.4755; 14.1633; 10.9706; 90; 100.198; 90;  

COD ID: 4030654
CIF file Formula: - C12 H12 Br N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 21 21 21
Cell volume: 1250.17
Cell parameters: 7.0209; 7.6049; 23.4143; 90; 90; 90;  

COD ID: 4030655
CIF file Formula: - C17 H14 N4 O4 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 n 1
Cell volume: 769.28
Cell parameters: 7.5869; 14.3161; 7.9651; 90; 117.226; 90;  

COD ID: 4030669
CIF file Formula: - C9 H12 N2 O -
Comments: Wagner, Alexander; Ofial, Armin R. Potassium Thiocyanate as Source of Cyanide for the Oxidative α-Cyanation of Tertiary Amines. The Journal of organic chemistry 80(5) (2015) 2848-2854
Space group: P 21 21 21
Cell volume: 836.29
Cell parameters: 6.6807; 7.3529; 17.0246; 90; 90; 90;  

COD ID: 4030670
CIF file Formula: - C18 H17 N3 O4 -
Comments: Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst. The Journal of organic chemistry 80(5) (2015) 2724-2732
Space group: P -1
Cell volume: 830.6
Cell parameters: 8.171; 8.979; 11.675; 95.56; 95.62; 101.11;  

COD ID: 4030671
CIF file Formula: - C30 H24 Br Cl2 N3 O5 -
Comments: Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst. The Journal of organic chemistry 80(5) (2015) 2724-2732
Space group: P -1
Cell volume: 1431.54
Cell parameters: 7.595; 13.7694; 15.7113; 64.051; 88.667; 76.613;  

COD ID: 4030672
CIF file Formula: - C13 H14 N2 O2 -
Comments: Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst. The Journal of organic chemistry 80(5) (2015) 2724-2732
Space group: P 21 21 21
Cell volume: 1150.9
Cell parameters: 7.9707; 8.873; 16.273; 90; 90; 90;  

COD ID: 4030673
CIF file Formula: - C18 H16 F N -
Comments: Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction. The Journal of organic chemistry 80(4) (2015) 2319-2332
Space group: P -1
Cell volume: 672.86
Cell parameters: 8.7186; 9.7432; 9.7497; 110.309; 99.085; 112.934;  

COD ID: 4030674
CIF file Formula: - C18 H16 Br N -
Comments: Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction. The Journal of organic chemistry 80(4) (2015) 2319-2332
Space group: P -1
Cell volume: 719.8
Cell parameters: 9.2639; 9.809; 10.047; 102.428; 108.884; 114.342;  

COD ID: 4030675
CIF file Formula: - C18 H16 Br N -
Comments: Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction. The Journal of organic chemistry 80(4) (2015) 2319-2332
Space group: P 1 21/n 1
Cell volume: 1447.2
Cell parameters: 9.666; 9.8149; 15.315; 90; 95.091; 90;  

COD ID: 4030683
CIF file Formula: - C17 H14 Br3 Cl3 O6 -
Comments: Meng, Fan-Yi; Huang, Shou-Ling; Liu, Yi-Hung; Hu, Ziqiang; Lai, Guoqiao; Luh, Tien-Yau Stereoselective Formation of Eight-Membered Rings by Radical Cyclization of Silylenedioxy-Tethered Bis-methacrylate Derivatives. The Journal of organic chemistry 80(5) (2015) 2869-2873
Space group: P -1
Cell volume: 1069.75
Cell parameters: 6.0225; 13.2389; 14.6415; 67.651; 82.712; 84.717;  

COD ID: 4030688
CIF file Formula: - C21 H31 N O6 S -
Comments: Wang, Huijing; Tang, Pei; Zhou, Qilong; Zhang, Dan; Chen, Zhitao; Huang, Hongxiu; Qin, Yong One-pot synthesis of multisubstituted butyrolactonimidates: total synthesis of (-)-nephrosteranic Acid. The Journal of organic chemistry 80(5) (2015) 2494-2502
Space group: P 21 21 21
Cell volume: 2376.4
Cell parameters: 8.7841; 9.9078; 27.3053; 90; 90; 90;  

COD ID: 4030689
CIF file Formula: - C21 H16 O2 -
Comments: Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State. The Journal of organic chemistry 80(5) (2015) 2573-2581
Space group: P 21 21 21
Cell volume: 1463.7
Cell parameters: 4.01959; 13.20565; 27.5746; 90; 90; 90;  

COD ID: 4030690
CIF file Formula: - C29 H32 O2 -
Comments: Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State. The Journal of organic chemistry 80(5) (2015) 2573-2581
Space group: P 1 21/n 1
Cell volume: 2287.46
Cell parameters: 19.0777; 6.19859; 19.4124; 90; 94.8297; 90;  

COD ID: 4030691
CIF file Formula: - C15 H13 Br F3 N O2 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P -1
Cell volume: 1582.8
Cell parameters: 10.986; 11.1385; 14.9183; 110.909; 105.303; 98.68;  

COD ID: 4030692
CIF file Formula: - C16 H15 Br F3 N O2 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P -1
Cell volume: 858.8
Cell parameters: 6.805; 8.529; 15.363; 74.591; 89.569; 87.535;  

COD ID: 4030693
CIF file Formula: - C15 H12 F3 N O2 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P 1 21/c 1
Cell volume: 1404.51
Cell parameters: 15.2115; 7.396; 12.4873; 90; 91.302; 90;  

COD ID: 4030694
CIF file Formula: - C12 H13 Br F3 N O2 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P -1
Cell volume: 684.28
Cell parameters: 6.9579; 10.516; 10.5474; 65.766; 80.838; 77.224;  

COD ID: 4030695
CIF file Formula: - C16 H15 Br F3 N O3 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P -1
Cell volume: 837.7
Cell parameters: 8.112; 10.284; 11.166; 82.569; 72.55; 70.601;  

COD ID: 4030696
CIF file Formula: - C12 H13 Br F3 N O4 S -
Comments: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. The Journal of organic chemistry 80(5) (2015) 2815-2821
Space group: P 1 21/n 1
Cell volume: 1466.4
Cell parameters: 5.9416; 20.512; 12.1325; 90; 97.383; 90;  

COD ID: 4030697
CIF file Formula: - C22 H23 Cl O3 S -
Comments: Borah, Madhurjya; Gogoi, Paramartha; Indukuri, Kiran; Saikia, Anil K. Diastereoselective Synthesis of Substituted Tetrahydrothiophenes and -thiopyrans via Thia-Prins Cyclization Reaction. The Journal of organic chemistry 80(5) (2015) 2641-2648
Space group: P 21 21 21
Cell volume: 2049.5
Cell parameters: 5.7035; 7.8753; 45.6289; 90; 90; 90;  

COD ID: 4030707
CIF file Formula: - C18 H19 N O4 S -
Comments: Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides. The Journal of organic chemistry 80(5) (2015) 2842-2847
Space group: P 1 21/n 1
Cell volume: 1783
Cell parameters: 9.167; 20.155; 10.011; 90; 105.418; 90;  

COD ID: 4030708
CIF file Formula: - C15 H19 N O2 S -
Comments: Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides. The Journal of organic chemistry 80(5) (2015) 2842-2847
Space group: P 1 21/c 1
Cell volume: 1446.2
Cell parameters: 12.3418; 12.5826; 9.6895; 90; 106.033; 90;  

COD ID: 4030725
CIF file Formula: - C24 H30 N2 O4 -
Comments: Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates. The Journal of organic chemistry 80(6) (2015) 3270-3279
Space group: P 21 21 21
Cell volume: 2291.1
Cell parameters: 8.077; 10.5732; 26.8277; 90; 90; 90;  

COD ID: 4030726
CIF file Formula: - C16 H13 N O2 -
Comments: Wang, Weiguo; Peng, Xianglong; Qin, Xiaoyu; Zhao, Xiangyun; Ma, Chen; Tung, Chen-Ho; Xu, Zhenghu Synthesis of Quinolinones with Palladium-Catalyzed Oxidative Annulation between Acrylamides and Arynes. The Journal of organic chemistry 80(5) (2015) 2835-2841
Space group: P 1 21 1
Cell volume: 2579.8
Cell parameters: 8.3004; 21.1079; 14.7263; 90; 90.917; 90;  

COD ID: 4030727
CIF file Formula: - C16 H16 Cl N3 O4 -
Comments: Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G. Taming chlorine azide: access to 1,2-azidochlorides from alkenes. The Journal of organic chemistry 80(5) (2015) 2740-2755
Space group: P -1
Cell volume: 831.7
Cell parameters: 8.9484; 10.234; 11.213; 116.439; 93.526; 110.517;  

COD ID: 4030737
CIF file Formula: - C24 H31 B Br N -
Comments: Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond. The Journal of organic chemistry 80(8) (2015) 3737-3744
Space group: P 1 21/c 1
Cell volume: 8912
Cell parameters: 34.465; 16.955; 15.653; 90; 103.019; 90;  

COD ID: 4030738
CIF file Formula: - C30 H36 B N -
Comments: Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond. The Journal of organic chemistry 80(8) (2015) 3737-3744
Space group: P 1 21/c 1
Cell volume: 2447.4
Cell parameters: 12.188; 12.09; 16.69; 90; 95.644; 90;  

COD ID: 4030739
CIF file Formula: - C28 H28 B N O -
Comments: Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond. The Journal of organic chemistry 80(8) (2015) 3737-3744
Space group: P -1
Cell volume: 1161.6
Cell parameters: 10.199; 10.769; 12.368; 98.32; 106.48; 111.72;  

COD ID: 4030748
CIF file Formula: - C11 H8 F3 N O2 S2 -
Comments: Shao, Xinxin; Xu, Chunfa; Lu, Long; Shen, Qilong Structure-reactivity relationship of trifluoromethanesulfenates: discovery of an electrophilic trifluoromethylthiolating reagent. The Journal of organic chemistry 80(6) (2015) 3012-3021
Space group: P 1 21/c 1
Cell volume: 1215.3
Cell parameters: 13.839; 11.892; 7.497; 90; 99.943; 90;  

COD ID: 4030749
CIF file Formula: - C22 H18 F N O4 -
Comments: Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid. The Journal of organic chemistry 80(6) (2015) 3289-3294
Space group: P 21 21 21
Cell volume: 1852.4
Cell parameters: 9.5333; 11.1732; 17.3909; 90; 90; 90;  

COD ID: 4030750
CIF file Formula: - C33 H51 N3 O6 -
Comments: Peng, Lingling; Mo, Fanyang; Zhang, Qinghai Cholate-based synthesis of size-tunable cage compounds. The Journal of organic chemistry 80(2) (2015) 1221-1228
Space group: P 21 21 21
Cell volume: 2995.97
Cell parameters: 8.339; 17.6239; 20.3855; 90; 90; 90;  

COD ID: 4030751
CIF file Formula: - C21 H17 N3 O2 -
Comments: Parella, Ramarao; Babu, Srinivasarao Arulananda Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems. The Journal of organic chemistry 80(4) (2015) 2339-2355
Space group: P 1 21/c 1
Cell volume: 1751.1
Cell parameters: 10.873; 11.858; 20.376; 90; 138.198; 90;  

COD ID: 4030752
CIF file Formula: - C22 H16 N2 O3 S -
Comments: Parella, Ramarao; Babu, Srinivasarao Arulananda Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems. The Journal of organic chemistry 80(4) (2015) 2339-2355
Space group: P 1 21/n 1
Cell volume: 1833.4
Cell parameters: 13.196; 8.3712; 16.808; 90; 99.083; 90;  

COD ID: 4030753
CIF file Formula: - C12 H12 Br2 O -
Comments: Lin, Mei-Huey; Li, Yi-Syuan; Kuo, Chung-Kai; Chen, Chung-Hao; Huang, Yen-Chih; Liang, Kung-Yu; Chen, Yu-Chun; Tsai, Chang-Hsien; Chuang, Tsung-Hsun Synthesis of Hexahydro-1H-isoindole Derivatives from Arylacyl Bromides via Homoallenic Bromohydrins. The Journal of organic chemistry 80(4) (2015) 2462-2466
Space group: P 1 21/c 1
Cell volume: 1246.87
Cell parameters: 13.9526; 5.4114; 16.5276; 90; 92.316; 90;  

COD ID: 4030754
CIF file Formula: - C18 H12 N2 O2 -
Comments: Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles. The Journal of organic chemistry 80(4) (2015) 2384-2391
Space group: P b c a
Cell volume: 5531.7
Cell parameters: 10.2831; 21.4073; 25.129; 90; 90; 90;  

COD ID: 4030755
CIF file Formula: - C34 H30 O4 S -
Comments: Takeda, Takashi; Akutagawa, Tomoyuki Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues. The Journal of organic chemistry 80(4) (2015) 2455-2461
Space group: P -1
Cell volume: 1364.45
Cell parameters: 10.0009; 11.547; 13.2679; 89.9142; 70.0107; 72.5011;  

COD ID: 4030756
CIF file Formula: - C12 H15 Br N2 O -
Comments: Fandrick, Keith R.; Mulder, Jason A.; Patel, Nitinchandra D.; Gao, Joe; Konrad, Michael; Archer, Elizabeth; Buono, Frederic G.; Duran, Adil; Schmid, Rolf; Daeubler, Juergen; Desrosiers, Jean-Nicolas; Zeng, Xingzhong; Rodriguez, Sonia; Ma, Shengli; Qu, Bo; Li, Zhibin; Fandrick, Daniel R.; Grinberg, Nelu; Lee, Heewon; Bosanac, Todd; Takahashi, Hidenori; Chen, Zhidong; Bartolozzi, Alessandra; Nemoto, Peter; Busacca, Carl A.; Song, Jinhua J.; Yee, Nathan K.; Mahaney, Paige E.; Senanayake, Chris H. Development of an Asymmetric Synthesis of a Chiral Quaternary FLAP Inhibitor. The Journal of organic chemistry 80(3) (2015) 1651-1660
Space group: P 1
Cell volume: 1194.2
Cell parameters: 9.3644; 11.804; 11.909; 65.119; 89.81; 89.633;  

COD ID: 4030763
CIF file Formula: - C26.5 H13 Cl F12 O2 Si -
Comments: Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives. The Journal of organic chemistry 80(6) (2015) 3280-3288
Space group: C 1 2/c 1
Cell volume: 5212.2
Cell parameters: 18.6833; 10.3132; 27.1247; 90; 94.236; 90;  

COD ID: 4030764
CIF file Formula: - C20 H12 F12 O2 Si -
Comments: Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives. The Journal of organic chemistry 80(6) (2015) 3280-3288
Space group: P 1 21/n 1
Cell volume: 2185.44
Cell parameters: 9.3373; 20.6773; 12.0406; 90; 109.931; 90;  

COD ID: 4030765
CIF file Formula: - C20 H12 F12 O2 Si -
Comments: Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives. The Journal of organic chemistry 80(6) (2015) 3280-3288
Space group: P 1 21/n 1
Cell volume: 2142.28
Cell parameters: 7.4888; 20.7278; 13.801; 90; 90.005; 90;  

COD ID: 4030766
CIF file Formula: - C46 H40 F26 Na2 O12 Si2 -
Comments: Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives. The Journal of organic chemistry 80(6) (2015) 3280-3288
Space group: P -1
Cell volume: 1403.34
Cell parameters: 9.7682; 12.0747; 12.4636; 76.595; 87.118; 78.923;  

COD ID: 4030767
CIF file Formula: - C14 H17 N O -
Comments: Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D. The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines. The Journal of organic chemistry 80(6) (2015) 3067-3074
Space group: P 21 21 21
Cell volume: 1221.7
Cell parameters: 7.6917; 11.1008; 14.3086; 90; 90; 90;  

COD ID: 4030768
CIF file Formula: - C13 H15 N O -
Comments: Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D. The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines. The Journal of organic chemistry 80(6) (2015) 3067-3074
Space group: P 1 21 1
Cell volume: 548.62
Cell parameters: 8.1102; 5.2791; 13.309; 90; 105.678; 90;  

COD ID: 4030769
CIF file Formula: - C40 H76 O3 P2 Pd -
Comments: Mutule, Ilga; Joo, Beomjun; Medne, Zane; Kalnins, Toms; Vedejs, Edwin; Suna, Edgars Stereoselective synthesis of the diazonamide a macrocyclic core. The Journal of organic chemistry 80(6) (2015) 3058-3066
Space group: P 1 21/n 1
Cell volume: 4236.92
Cell parameters: 10.6143; 29.5816; 13.6374; 90; 98.3194; 90;  

COD ID: 4030770
CIF file Formula: - C27 H22 Br N O6 -
Comments: Peris, Gorka; Vedejs, Edwin Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a. The Journal of organic chemistry 80(6) (2015) 3050-3057
Space group: P 61
Cell volume: 3591.4
Cell parameters: 8.5221; 8.5221; 57.101; 90; 90; 120;  

COD ID: 4030771
CIF file Formula: - C15 H9 F3 N4 O2 -
Comments: Yamajala, K. Durga Bhaskar; Patil, Mahendra; Banerjee, Shaibal Pd-catalyzed regioselective arylation on the C-5 position of N-aryl 1,2,3-triazoles. The Journal of organic chemistry 80(6) (2015) 3003-3011
Space group: C 1 2/c 1
Cell volume: 2831.5
Cell parameters: 25.7647; 7.9823; 15.4643; 90; 117.091; 90;  

COD ID: 4030777
CIF file Formula: - C20 H20 Br2 O3 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 1 21/n 1
Cell volume: 2034.8
Cell parameters: 10.7344; 15.1368; 12.8068; 90; 102.089; 90;  

COD ID: 4030778
CIF file Formula: - C20 H17 Br O2 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 1 21/n 1
Cell volume: 1789.12
Cell parameters: 10.7739; 12.4913; 13.7969; 90; 105.516; 90;  

COD ID: 4030779
CIF file Formula: - C19 H16 Cl2 O2 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 1 21/c 1
Cell volume: 1796.9
Cell parameters: 11.8651; 17.8961; 8.7169; 90; 103.874; 90;  

COD ID: 4030780
CIF file Formula: - C21 H21 Br O3 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 21 21 21
Cell volume: 1889.6
Cell parameters: 11.1799; 11.3455; 14.897; 90; 90; 90;  

COD ID: 4030781
CIF file Formula: - C26 H25 N O2 -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 1 21/c 1
Cell volume: 2156.5
Cell parameters: 11.6199; 18.4852; 10.268; 90; 102.098; 90;  

COD ID: 4030782
CIF file Formula: - C21 H21 Br O3 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 21 21 21
Cell volume: 1877.5
Cell parameters: 11.1601; 11.3394; 14.8359; 90; 90; 90;  

COD ID: 4030783
CIF file Formula: - C21 H21 Br O3 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P n a 21
Cell volume: 4123.7
Cell parameters: 25.0058; 13.0551; 12.6318; 90; 90; 90;  

COD ID: 4030784
CIF file Formula: - C20 H21 Br O3 S -
Comments: Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins. The Journal of organic chemistry 80(6) (2015) 2972-2988
Space group: P 1 21/c 1
Cell volume: 1906.6
Cell parameters: 7.9027; 8.5524; 28.369; 90; 96.068; 90;  

COD ID: 4030799
CIF file Formula: - C32 H46 N6 O4 -
Comments: Moussodia, Ralph-Olivier; Acherar, Samir; Romero, Eugénie; Didierjean, Claude; Jamart-Grégoire, Brigitte Evidence of Nanotubular Self-Organization in Solution and Solid States of Heterochiral Cyclo 1:1 [α/α-N(α)-Bn-hydrazino]mers Series. The Journal of organic chemistry 80(6) (2015) 3022-3029
Space group: C 1 2 1
Cell volume: 6545.5
Cell parameters: 27.793; 9.7527; 27.915; 90; 120.11; 90;  

COD ID: 4030825
CIF file Formula: - C49 H57 N O12 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: P -1
Cell volume: 2185.69
Cell parameters: 11.6028; 13.7155; 15.4868; 74.898; 72.606; 70.883;  

COD ID: 4030826
CIF file Formula: - C56 H80 O8 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: P -1
Cell volume: 2579.03
Cell parameters: 8.7786; 13.1685; 23.0265; 78.201; 88.483; 81.806;  

COD ID: 4030827
CIF file Formula: - C36 H40 O8 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: P 1 21/c 1
Cell volume: 3112.76
Cell parameters: 8.5228; 33.0695; 11.6141; 90; 108.023; 90;  

COD ID: 4030828
CIF file Formula: - C92.54 H120.54 Cl1.63 O16 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: P 21 21 21
Cell volume: 8722.1
Cell parameters: 15.068; 23.3472; 24.7931; 90; 90; 90;  

COD ID: 4030829
CIF file Formula: - C36 H40 O8 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: P 1 21/n 1
Cell volume: 2997.07
Cell parameters: 8.7216; 22.4584; 15.5439; 90; 100.141; 90;  

COD ID: 4030830
CIF file Formula: - C56 H76 O8 -
Comments: Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions. The Journal of organic chemistry 80(7) (2015) 3488
Space group: C 1 2/c 1
Cell volume: 10309
Cell parameters: 25.712; 23.741; 16.888; 90; 90; 90;  

COD ID: 4030837
CIF file Formula: - C15 H23 N O5 S -
Comments: Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates. The Journal of organic chemistry 80(7) (2015) 3368
Space group: C 1 2 1
Cell volume: 1756
Cell parameters: 20.529; 6.669; 12.889; 90; 95.761; 90;  

COD ID: 4030838
CIF file Formula: - C25 H38 O4 S Si -
Comments: Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates. The Journal of organic chemistry 80(7) (2015) 3368
Space group: P 1 21 1
Cell volume: 2677.1
Cell parameters: 6.485; 11.608; 35.604; 90; 92.732; 90;  

COD ID: 4030839
CIF file Formula: - C19 H33 N O2 S Si -
Comments: Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates. The Journal of organic chemistry 80(7) (2015) 3368
Space group: P 1
Cell volume: 1138.8
Cell parameters: 7.857; 11.876; 13.396; 70.095; 77.111; 79.851;  

COD ID: 4030848
CIF file Formula: - C17 H22 O6 -
Comments: Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J. Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols. The Journal of organic chemistry 80(7) (2015) 3429
Space group: P 1 21 1
Cell volume: 790.9
Cell parameters: 6.071; 18.734; 7.024; 90; 98.101; 90;  

COD ID: 4030849
CIF file Formula: - C17 H22 O6 -
Comments: Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J. Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols. The Journal of organic chemistry 80(7) (2015) 3429
Space group: P 1 21 1
Cell volume: 824.94
Cell parameters: 6.6036; 19.939; 6.6798; 90; 110.291; 90;  

COD ID: 4030877
CIF file Formula: - C18 H15 Br O3 -
Comments: Wei, Ai-Jia; Nie, Jing; Zheng, Yan; Ma, Jun-An Ni-Catalyzed Highly Chemo-, Regio-, and Enantioselective Decarboxylative Aldol Reaction of β,γ-Unsaturated α-Ketoesters with β-Ketoacids. The Journal of organic chemistry 80(8) (2015) 3766-3776
Space group: P 1 21 1
Cell volume: 807.1
Cell parameters: 5.83; 8.288; 16.725; 90; 92.845; 90;  

COD ID: 4030891
CIF file Formula: - C20 H18 Br N O2 -
Comments: Huang, You-Ming; Zheng, Chang-Wu; Zhao, Gang Asymmetric Robinson-Type Annulation Reaction between β-Ketoamides and α,β-Unsaturated Ketones. The Journal of organic chemistry 80(8) (2015) 3798-3805
Space group: P 1 21 1
Cell volume: 896
Cell parameters: 5.082; 9.83; 18; 90; 94.98; 90;  

COD ID: 4030892
CIF file Formula: - C15 H11 N O -
Comments: Mayo, Muhammad Shareef; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming Isoquinolone Synthesis through SNAr Reaction of 2-Halobenzonitriles with Ketones Followed by Cyclization. The Journal of organic chemistry 80(8) (2015) 3998-4002
Space group: P -1
Cell volume: 557.4
Cell parameters: 3.882; 12.069; 12.451; 106.586; 94.219; 90.27;  

COD ID: 4030917
CIF file Formula: - C28 H20 N2 O -
Comments: Qi, Zisong; Yu, Songjie; Li, Xingwei Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation. The Journal of organic chemistry 80(7) (2015) 3471
Space group: P n a 21
Cell volume: 2048
Cell parameters: 10.3476; 21.312; 9.2867; 90; 90; 90;  

COD ID: 4030918
CIF file Formula: - C16 H16 Cl N3 O4 -
Comments: Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G. Taming chlorine azide: access to 1,2-azidochlorides from alkenes. The Journal of organic chemistry 80(5) (2015) 2740-2755
Space group: P 1 21/c 1
Cell volume: 1675.1
Cell parameters: 8.72; 23.945; 8.704; 90; 112.823; 90;  

COD ID: 4030927
CIF file Formula: - C14 H18 O7 -
Comments: Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M. Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides. The Journal of organic chemistry 80(8) (2015) 3777-3789
Space group: P 1 21 1
Cell volume: 724.57
Cell parameters: 8.9655; 6.4598; 12.7951; 90; 102.099; 90;  

COD ID: 4030928
CIF file Formula: - C15 H20 O7 -
Comments: Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M. Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides. The Journal of organic chemistry 80(8) (2015) 3777-3789
Space group: P 1
Cell volume: 1552.59
Cell parameters: 10.5288; 11.2256; 14.5218; 87.88; 68.77; 76.367;  

COD ID: 4030929
CIF file Formula: - C26 H22 O6 S -
Comments: Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M. Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides. The Journal of organic chemistry 80(8) (2015) 3777-3789
Space group: P 21 21 21
Cell volume: 2269.2
Cell parameters: 9.5965; 10.3616; 22.821; 90; 90; 90;  

COD ID: 4030933
CIF file Formula: - C26 H28 N O2 P -
Comments: Han, Lei; Lei, Yang; Xing, Ping; Zhao, Xiao-Long; Jiang, Biao [2.2]paracyclophane-derived monodentate phosphoramidite ligands for copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones. The Journal of organic chemistry 80(8) (2015) 3752-3757
Space group: P 1 21/c 1
Cell volume: 2178.7
Cell parameters: 18.2934; 8.0986; 15.5225; 90; 108.665; 90;  

COD ID: 4030942
CIF file Formula: - C31 H22 O S -
Comments: Rananaware, Anushri; Bhosale, Rajesh S.; Ohkubo, Kei; Patil, Hemlata; Jones, Lathe A.; Jackson, Sam L.; Fukuzumi, Shunichi; Bhosale, Sidhanath V.; Bhosale, Sheshanath V. Tetraphenylethene-Based Star Shaped Porphyrins: Synthesis, Self-assembly, and Optical and Photophysical Study. The Journal of organic chemistry 80(8) (2015) 3832-3840
Space group: P 1 21 1
Cell volume: 2365.3
Cell parameters: 5.5812; 47.12; 9.2435; 90; 103.343; 90;  

COD ID: 4030943
CIF file Formula: - C48 H36 N2 O8 -
Comments: Chowdhury, Aniket; Mukherjee, Partha Sarathi Electron-rich triphenylamine-based sensors for picric Acid detection. The Journal of organic chemistry 80(8) (2015) 4064-4075
Space group: P 1 21/n 1
Cell volume: 2007.5
Cell parameters: 11.6944; 10.2243; 16.901; 90; 96.579; 90;  

COD ID: 4030953
CIF file Formula: - C29 H18 O4 -
Comments: Shirke, Rajendra P.; Ramasastry, S. S. V. Modular assembly of furotropones and benzofurotropones, and study of their physicochemical properties. The Journal of organic chemistry 80(10) (2015) 4893-4903
Space group: P 1 21/c 1
Cell volume: 2169.1
Cell parameters: 9.517; 21.237; 11.104; 90; 104.868; 90;  

COD ID: 4030954
CIF file Formula: - C20 H20 N2 O3 Si -
Comments: Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A. Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines. The Journal of organic chemistry 80(9) (2015) 4545-4552
Space group: P 1 21/n 1
Cell volume: 1864.35
Cell parameters: 12.68993; 9.69273; 15.41784; 90; 100.547; 90;  

COD ID: 4030955
CIF file Formula: - C21 H22 N2 O4 Si -
Comments: Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A. Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines. The Journal of organic chemistry 80(9) (2015) 4545-4552
Space group: P -1
Cell volume: 1018.22
Cell parameters: 6.6005; 10.33; 15.2977; 96.372; 95.057; 98.899;  

COD ID: 4030956
CIF file Formula: - C19 H20 N2 O4 Si -
Comments: Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A. Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines. The Journal of organic chemistry 80(9) (2015) 4545-4552
Space group: P b c a
Cell volume: 3733.3
Cell parameters: 10.7185; 16.4457; 21.179; 90; 90; 90;  

COD ID: 4030957
CIF file Formula: - C29 H28 Br2 O6 -
Comments: Wang, Bian-Lin; Gao, Hai-Tao; Li, Wei-Dong Z Total synthesis of (+)-iresin. The Journal of organic chemistry 80(10) (2015) 5296-5301
Space group: P 1 21 1
Cell volume: 1308.4
Cell parameters: 6.286; 7.3672; 28.272; 90; 92.047; 90;  

COD ID: 4030958
CIF file Formula: - C25 H27 N O3 S -
Comments: Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K. Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols. The Journal of organic chemistry 80(9) (2015) 4349-4359
Space group: P 1 21 1
Cell volume: 1139.61
Cell parameters: 7.2875; 10.6142; 14.7414; 90; 91.936; 90;  

COD ID: 4030959
CIF file Formula: - C48 H32 Br2 Cl6 O8 -
Comments: Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers. The Journal of organic chemistry 80(11) (2015) 5687-5695
Space group: P -1
Cell volume: 3406.36
Cell parameters: 11.7891; 17.3916; 17.8781; 74.6642; 74.5511; 87.2285;  

COD ID: 4030960
CIF file Formula: - C23 H15 Br O4 -
Comments: Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers. The Journal of organic chemistry 80(11) (2015) 5687-5695
Space group: P -1
Cell volume: 857.04
Cell parameters: 8.3918; 9.3294; 12.1587; 70.646; 82.2385; 72.7588;  

COD ID: 4030961
CIF file Formula: - C21 H16 Br N O4 -
Comments: Hu, Zhi-Peng; Zhuang, Zhe; Liao, Wei-Wei Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa-Michael Addition Triggered Ring-Expansion Approach. The Journal of organic chemistry 80(9) (2015) 4627-4637
Space group: P 21 21 21
Cell volume: 1897.6
Cell parameters: 7.8772; 9.0475; 26.626; 90; 90; 90;  

COD ID: 4030962
CIF file Formula: - C19 H17 Br Cl N O3 -
Comments: Damera, Krishna; Yu, Bingchen; Wang, Binghe Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization. The Journal of organic chemistry 80(11) (2015) 5457-5463
Space group: P -1
Cell volume: 883.67
Cell parameters: 7.6245; 10.3617; 11.7154; 92.793; 106.432; 93.7434;  

COD ID: 4030963
CIF file Formula: - C20 H20 Br N O4 -
Comments: Damera, Krishna; Yu, Bingchen; Wang, Binghe Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization. The Journal of organic chemistry 80(11) (2015) 5457-5463
Space group: P -1
Cell volume: 888.4
Cell parameters: 7.737; 10.668; 11.524; 95.567; 108.801; 95.3;  

COD ID: 4030964
CIF file Formula: - C20 H18 N S -
Comments: Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones. The Journal of organic chemistry 80(10) (2015) 5272-5278
Space group: P 21 21 21
Cell volume: 1616.6
Cell parameters: 8.88; 10.855; 16.771; 90; 90; 90;  

COD ID: 4030965
CIF file Formula: - C16 H15 N O4 -
Comments: Murthy, Akondi Srirama; Donikela, Sangeetha; Reddy, Cirandur Suresh; Chegondi, Rambabu Palladium-catalyzed regioselective domino cyclization of cyclohexadienones. The Journal of organic chemistry 80(11) (2015) 5566-5571
Space group: P 1 21/n 1
Cell volume: 1404.43
Cell parameters: 10.9511; 7.0532; 18.2429; 90; 94.658; 90;  

COD ID: 4030966
CIF file Formula: - C107 H119 Cl3 N2 O14 -
Comments: Bürger, M; Katzsch, F.; Brendler, E.; Gruber, T. Synthesis of macrocyclic receptors with intrinsic fluorescence featuring quinizarin moieties. The Journal of organic chemistry 80(10) (2015) 4882-4892
Space group: C 1 2/c 1
Cell volume: 18624
Cell parameters: 32.74; 14.888; 38.686; 90; 99.017; 90;  

COD ID: 4030967
CIF file Formula: - C21 H18 N4 O7 -
Comments: Kamal, Ahmed; Sastry, K. N. Visweswara; Chandrasekhar, D.; Mani, Geeta Sai; Adiyala, Praveen Reddy; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar One-pot, three-component approach to the synthesis of 3,4,5-trisubstituted pyrazoles. The Journal of organic chemistry 80(9) (2015) 4325-4335
Space group: P 1 21/c 1
Cell volume: 2163
Cell parameters: 10.6542; 23.6126; 9.1002; 90; 109.129; 90;  

COD ID: 4030968
CIF file Formula: - C22 H19 N O4 -
Comments: Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin. The Journal of organic chemistry 80(9) (2015) 4306-4312
Space group: I 1 2/a 1
Cell volume: 3653.6
Cell parameters: 22.0146; 6.9363; 24.0365; 90; 95.483; 90;  


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